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1247 Commits
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f65aae9538 |
1
.gitignore
vendored
1
.gitignore
vendored
|
@ -1,4 +1,5 @@
|
|||
quantum_package.rc
|
||||
config/ifort.cfg
|
||||
quantum_package_static.tar.gz
|
||||
build.ninja
|
||||
.ninja_log
|
||||
|
|
18
.travis.yml
18
.travis.yml
|
@ -4,16 +4,21 @@
|
|||
# - sudo apt-get install gfortran liblapack-dev gcc
|
||||
# - sudo apt-get install graphviz
|
||||
|
||||
os: linux
|
||||
|
||||
dist: trusty
|
||||
|
||||
sudo: false
|
||||
|
||||
compiler: gfortran
|
||||
|
||||
addons:
|
||||
apt:
|
||||
packages:
|
||||
- zlib1g-dev
|
||||
- libgmp3-dev
|
||||
- gfortran
|
||||
- gcc
|
||||
- liblapack-dev
|
||||
# - liblapack-dev
|
||||
# - libblas-dev
|
||||
- graphviz
|
||||
|
||||
cache:
|
||||
|
@ -25,8 +30,9 @@ python:
|
|||
- "2.6"
|
||||
|
||||
script:
|
||||
- ./configure --production ./config/gfortran.cfg
|
||||
- source ./quantum_package.rc ; qp_module.py install Full_CI Hartree_Fock CAS_SD MRCC_CASSD All_singles
|
||||
- ./configure ./config/travis.cfg
|
||||
- source ./quantum_package.rc ; qp_module.py install Full_CI Full_CI_ZMQ Hartree_Fock CAS_SD_ZMQ mrcepa0 All_singles
|
||||
- source ./quantum_package.rc ; cd ~ ; install_lapack.sh ; cd $QP_ROOT
|
||||
- source ./quantum_package.rc ; ninja
|
||||
- source ./quantum_package.rc ; cd ocaml ; make ; cd -
|
||||
- source ./quantum_package.rc ; cd tests ; ./run_tests.sh #-v
|
||||
- source ./quantum_package.rc ; cd tests ; ./run_tests.sh -v
|
||||
|
|
59
README.md
59
README.md
|
@ -1,3 +1,11 @@
|
|||
## IMPORTANT
|
||||
|
||||
This repository is version 1 of QP. **This version is not supported any more**.
|
||||
|
||||
Version 2 is available here : https://github.com/QuantumPackage/qp2
|
||||
|
||||
----------------------------------
|
||||
|
||||
![QP](https://raw.githubusercontent.com/LCPQ/quantum_package/master/data/qp.png)
|
||||
[![Build Status](https://travis-ci.org/LCPQ/quantum_package.svg?branch=master)](https://travis-ci.org/LCPQ/quantum_package)
|
||||
[![Gitter](https://badges.gitter.im/Join%20Chat.svg)](https://gitter.im/LCPQ/quantum_package?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge&utm_content=badge)
|
||||
|
@ -5,7 +13,7 @@
|
|||
Set of quantum chemistry programs and libraries.
|
||||
(under GNU GENERAL PUBLIC LICENSE v2)
|
||||
|
||||
For more information, you can visit the [wiki of the project](http://github.com/LCPQ/quantum_package/wiki>), or below for the installation instructions.
|
||||
For more information, you can visit the [wiki of the project](http://github.com/LCPQ/quantum_package/wiki), or below for the installation instructions.
|
||||
|
||||
|
||||
|
||||
|
@ -24,7 +32,7 @@ Demo
|
|||
* Python >= 2.6
|
||||
* GNU make
|
||||
* Bash
|
||||
* Blast/Lapack
|
||||
* Blas/Lapack
|
||||
* unzip
|
||||
* g++ (For ninja)
|
||||
|
||||
|
@ -32,27 +40,21 @@ Demo
|
|||
|
||||
### 1) Configure
|
||||
|
||||
$ ./configure <config_file> (--production | --development)
|
||||
$ ./configure <config_file>
|
||||
|
||||
For example you can type `./configure config/gfortran.cfg --production`
|
||||
For example you can type `./configure config/gfortran.cfg`
|
||||
|
||||
This command has two purposes :
|
||||
|
||||
- Download and install all the requirements.
|
||||
Installing OCaml and the Core library may take some time (up to 20min on an old machine).
|
||||
- Create the file which contains all the dependencies for the binaries.
|
||||
It's not a Makefile, but a Ninja file (so don't type `make` is hopeless, type `ninja` instead)
|
||||
It's not a Makefile, but a Ninja file (so don't type `make` it's hopeless, type `ninja` instead)
|
||||
|
||||
####Compilation Flags (`<config_file>`)
|
||||
#### Compilation Flags (`<config_file>`)
|
||||
|
||||
`<config_file>` is the path to the file which contains all the compilation flags (optimization flags, Lapack libary, etc). There are two example configure files in ``$QP_ROOT/config`` : ``ifort.cfg`` and ``gfortran.cfg``. You can copy these files to create a new file adapted to your architecture.
|
||||
|
||||
#### What utilization of the code will you do?
|
||||
|
||||
* If you only want the binaries (for production workflow) use the flag
|
||||
`--production`. It compiles faster.
|
||||
* Else if you are a developer and you want to be able to compile specific modules use: `--development`. It will create the `build.ninja` in each module.
|
||||
|
||||
### 2) Load environment variables
|
||||
|
||||
source quantum_package.rc
|
||||
|
@ -75,24 +77,16 @@ Usage:
|
|||
|
||||
### 3) Compiling the Fortran
|
||||
|
||||
Just type `ninja` if you are in `$QP_ROOT` (or `ninja -f $QP_ROOT/build.ninja` elsewhere). The compilation will take approximately 3 min.
|
||||
|
||||
If you have set the `--developement` flag you can go in any module directory and run `ninja` to build only this particular module. You can type `ninja all` in a module to compile all the submodules.
|
||||
|
||||
|
||||
### 4) Compiling the OCaml
|
||||
|
||||
make -C ocaml
|
||||
Just type `ninja` if you are in `$QP_ROOT`. The compilation will take approximately 3 min.
|
||||
|
||||
### 5) Testing if all is ok
|
||||
|
||||
cd tests ; bats bats/qp.bats
|
||||
|
||||
cd tests ; ./run_tests.sh
|
||||
|
||||
|
||||
# Note on EZFIO.cfg
|
||||
|
||||
##Format specification :
|
||||
## Format specification:
|
||||
|
||||
```
|
||||
Required:
|
||||
|
@ -119,7 +113,7 @@ Optional:
|
|||
(by default is <module_lower>)
|
||||
```
|
||||
|
||||
##Example of EZFIO.cfg:
|
||||
## Example of EZFIO.cfg:
|
||||
|
||||
```
|
||||
[thresh_SCF]
|
||||
|
@ -135,20 +129,24 @@ doc: Calculated HF energy
|
|||
interface: ezfio
|
||||
```
|
||||
|
||||
#FAQ
|
||||
# FAQ
|
||||
|
||||
### My hartree-Fock segfault !
|
||||
|
||||
A old version of Lapack have a bug. Just relax your convergence criterium
|
||||
|
||||
|
||||
### Error: ezfio_* is already defined.
|
||||
|
||||
#### Why ?
|
||||
|
||||
You have two or more ezfio configuration files for the same variable. Check files in `$QP_ROOT/install/EZFIO/config/`
|
||||
You have two or more ezfio configuration files for the same variable. Check files in `$QP_ROOT/install/EZFIO/config/` and the all the `EZFIO.cfg`.
|
||||
|
||||
#### Fix
|
||||
|
||||
- rm $QP_ROOT/install/EZFIO/config/*
|
||||
- ninja
|
||||
|
||||
|
||||
### Error: Seg Fault (139)
|
||||
|
||||
```
|
||||
|
@ -160,7 +158,10 @@ Program exited with code 139.
|
|||
|
||||
It's caused when we call the DGEMM routine of LAPACK.
|
||||
|
||||
##### Fix
|
||||
#### Fix
|
||||
|
||||
Set `ulimit -s unlimited`, before runing `qp_run`. It seem to fix the problem.
|
||||
Set `ulimit -s unlimited`, before runing `qp_run`. It seems to fix the problem.
|
||||
|
||||
#### Error: f77zmq not symbol found
|
||||
|
||||
In the Makefile of the f77zmq, you should NOT use ar but `libtool -static`
|
||||
|
|
6
bin/qp_gaspi_run
Executable file
6
bin/qp_gaspi_run
Executable file
|
@ -0,0 +1,6 @@
|
|||
#!/bin/bash
|
||||
|
||||
QP_ROOT=$( cd $(dirname "${BASH_SOURCE}")/.. ; pwd -P )
|
||||
source $HOME/.bashrc
|
||||
source $QP_ROOT/quantum_package.rc
|
||||
exec $QP_ROOT/ocaml/qp_run $@
|
|
@ -11,7 +11,7 @@
|
|||
#
|
||||
[COMMON]
|
||||
FC : gfortran -ffree-line-length-none -I .
|
||||
LAPACK_LIB : -llapack -lblas
|
||||
LAPACK_LIB : -lblas -llapack
|
||||
IRPF90 : irpf90
|
||||
IRPF90_FLAGS : --ninja --align=32
|
||||
|
||||
|
|
|
@ -10,7 +10,7 @@
|
|||
#
|
||||
#
|
||||
[COMMON]
|
||||
FC : gfortran -ffree-line-length-none -I . -mavx
|
||||
FC : gfortran -ffree-line-length-none -I . -mavx -g
|
||||
LAPACK_LIB : -llapack -lblas
|
||||
IRPF90 : irpf90
|
||||
IRPF90_FLAGS : --ninja --align=32
|
||||
|
|
|
@ -10,10 +10,10 @@
|
|||
#
|
||||
#
|
||||
[COMMON]
|
||||
FC : gfortran -g -ffree-line-length-none -I . -static-libgcc
|
||||
LAPACK_LIB : -llapack -lblas
|
||||
FC : gfortran -g -ffree-line-length-none -I .
|
||||
LAPACK_LIB : -lblas -llapack
|
||||
IRPF90 : irpf90
|
||||
IRPF90_FLAGS : --ninja --assert --align=32
|
||||
IRPF90_FLAGS : --ninja --align=32 --assert
|
||||
|
||||
# Global options
|
||||
################
|
||||
|
@ -51,7 +51,7 @@ FCFLAGS : -Ofast
|
|||
# -g : Extra debugging information
|
||||
#
|
||||
[DEBUG]
|
||||
FCFLAGS : -g -pedantic -msse4.2
|
||||
FCFLAGS : -g -msse4.2 -fcheck=all -Waliasing -Wampersand -Wconversion -Wsurprising -Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation -Wreal-q-constant
|
||||
|
||||
# OpenMP flags
|
||||
#################
|
||||
|
|
62
config/gfortran_mpi.cfg
Normal file
62
config/gfortran_mpi.cfg
Normal file
|
@ -0,0 +1,62 @@
|
|||
# Common flags
|
||||
##############
|
||||
#
|
||||
# -ffree-line-length-none : Needed for IRPF90 which produces long lines
|
||||
# -lblas -llapack : Link with libblas and liblapack libraries provided by the system
|
||||
# -I . : Include the curent directory (Mandatory)
|
||||
#
|
||||
# --ninja : Allow the utilisation of ninja. (Mandatory)
|
||||
# --align=32 : Align all provided arrays on a 32-byte boundary
|
||||
#
|
||||
#
|
||||
[COMMON]
|
||||
FC : mpif90 -ffree-line-length-none -I . -g
|
||||
LAPACK_LIB : -lblas -llapack
|
||||
IRPF90 : irpf90
|
||||
IRPF90_FLAGS : --ninja --align=32 -DMPI
|
||||
|
||||
# Global options
|
||||
################
|
||||
#
|
||||
# 1 : Activate
|
||||
# 0 : Deactivate
|
||||
#
|
||||
[OPTION]
|
||||
MODE : OPT ; [ OPT | PROFILE | DEBUG ] : Chooses the section below
|
||||
CACHE : 1 ; Enable cache_compile.py
|
||||
OPENMP : 1 ; Append OpenMP flags
|
||||
|
||||
# Optimization flags
|
||||
####################
|
||||
#
|
||||
# -Ofast : Disregard strict standards compliance. Enables all -O3 optimizations.
|
||||
# It also enables optimizations that are not valid
|
||||
# for all standard-compliant programs. It turns on
|
||||
# -ffast-math and the Fortran-specific
|
||||
# -fno-protect-parens and -fstack-arrays.
|
||||
[OPT]
|
||||
FCFLAGS : -Ofast -msse4.2
|
||||
|
||||
# Profiling flags
|
||||
#################
|
||||
#
|
||||
[PROFILE]
|
||||
FC : -p -g
|
||||
FCFLAGS : -Ofast -msse4.2
|
||||
|
||||
# Debugging flags
|
||||
#################
|
||||
#
|
||||
# -fcheck=all : Checks uninitialized variables, array subscripts, etc...
|
||||
# -g : Extra debugging information
|
||||
#
|
||||
[DEBUG]
|
||||
FCFLAGS : -fcheck=all -g
|
||||
|
||||
# OpenMP flags
|
||||
#################
|
||||
#
|
||||
[OPENMP]
|
||||
FC : -fopenmp
|
||||
IRPF90_FLAGS : --openmp
|
||||
|
|
@ -32,13 +32,13 @@ OPENMP : 1 ; Append OpenMP flags
|
|||
#
|
||||
[OPT]
|
||||
FC : -traceback
|
||||
FCFLAGS : -xSSE4.2 -O2 -ip -ftz -g -traceback
|
||||
FCFLAGS : -xSSE4.2 -O2 -ip -ftz -g
|
||||
|
||||
# Profiling flags
|
||||
#################
|
||||
#
|
||||
[PROFILE]
|
||||
FC : -p -g -traceback
|
||||
FC : -p -g
|
||||
FCFLAGS : -xSSE4.2 -O2 -ip -ftz
|
||||
|
||||
# Debugging flags
|
||||
|
@ -52,8 +52,7 @@ FCFLAGS : -xSSE4.2 -O2 -ip -ftz
|
|||
#
|
||||
[DEBUG]
|
||||
FC : -g -traceback
|
||||
FCFLAGS : -xSSE2 -C
|
||||
IRPF90_FLAGS : --openmp
|
||||
FCFLAGS : -xSSE2 -C -fpe0
|
||||
|
||||
# OpenMP flags
|
||||
#################
|
||||
|
|
62
config/ifort_mpi.cfg
Normal file
62
config/ifort_mpi.cfg
Normal file
|
@ -0,0 +1,62 @@
|
|||
# Common flags
|
||||
##############
|
||||
#
|
||||
# -mkl=[parallel|sequential] : Use the MKL library
|
||||
# --ninja : Allow the utilisation of ninja. It is mandatory !
|
||||
# --align=32 : Align all provided arrays on a 32-byte boundary
|
||||
#
|
||||
[COMMON]
|
||||
FC : mpiifort
|
||||
LAPACK_LIB : -mkl=parallel
|
||||
IRPF90 : irpf90
|
||||
IRPF90_FLAGS : --ninja --align=32 -DMPI
|
||||
|
||||
# Global options
|
||||
################
|
||||
#
|
||||
# 1 : Activate
|
||||
# 0 : Deactivate
|
||||
#
|
||||
[OPTION]
|
||||
MODE : OPT ; [ OPT | PROFILE | DEBUG ] : Chooses the section below
|
||||
CACHE : 1 ; Enable cache_compile.py
|
||||
OPENMP : 1 ; Append OpenMP flags
|
||||
|
||||
# Optimization flags
|
||||
####################
|
||||
#
|
||||
# -xHost : Compile a binary optimized for the current architecture
|
||||
# -O2 : O3 not better than O2.
|
||||
# -ip : Inter-procedural optimizations
|
||||
# -ftz : Flushes denormal results to zero
|
||||
#
|
||||
[OPT]
|
||||
FCFLAGS : -xAVX -O2 -ip -ftz -g -traceback
|
||||
|
||||
# Profiling flags
|
||||
#################
|
||||
#
|
||||
[PROFILE]
|
||||
FC : -p -g
|
||||
FCFLAGS : -xSSE4.2 -O2 -ip -ftz
|
||||
|
||||
# Debugging flags
|
||||
#################
|
||||
#
|
||||
# -traceback : Activate backtrace on runtime
|
||||
# -fpe0 : All floating point exaceptions
|
||||
# -C : Checks uninitialized variables, array subscripts, etc...
|
||||
# -g : Extra debugging information
|
||||
# -xSSE2 : Valgrind needs a very simple x86 executable
|
||||
#
|
||||
[DEBUG]
|
||||
FC : -g -traceback
|
||||
FCFLAGS : -xSSE2 -C -fpe0
|
||||
|
||||
# OpenMP flags
|
||||
#################
|
||||
#
|
||||
[OPENMP]
|
||||
FC : -qopenmp
|
||||
IRPF90_FLAGS : --openmp
|
||||
|
62
config/sse4_avx2.cfg
Normal file
62
config/sse4_avx2.cfg
Normal file
|
@ -0,0 +1,62 @@
|
|||
# Common flags
|
||||
##############
|
||||
#
|
||||
# -mkl=[parallel|sequential] : Use the MKL library
|
||||
# --ninja : Allow the utilisation of ninja. It is mandatory !
|
||||
# --align=32 : Align all provided arrays on a 32-byte boundary
|
||||
#
|
||||
[COMMON]
|
||||
FC : ifort
|
||||
LAPACK_LIB : -mkl=parallel
|
||||
IRPF90 : irpf90
|
||||
IRPF90_FLAGS : --ninja --align=32
|
||||
|
||||
# Global options
|
||||
################
|
||||
#
|
||||
# 1 : Activate
|
||||
# 0 : Deactivate
|
||||
#
|
||||
[OPTION]
|
||||
MODE : OPT ; [ OPT | PROFILE | DEBUG ] : Chooses the section below
|
||||
CACHE : 1 ; Enable cache_compile.py
|
||||
OPENMP : 1 ; Append OpenMP flags
|
||||
|
||||
# Optimization flags
|
||||
####################
|
||||
#
|
||||
# -xHost : Compile a binary optimized for the current architecture
|
||||
# -O2 : O3 not better than O2.
|
||||
# -ip : Inter-procedural optimizations
|
||||
# -ftz : Flushes denormal results to zero
|
||||
#
|
||||
[OPT]
|
||||
FCFLAGS : -axSSE4.2,AVX,CORE-AVX2 -O2 -ip -ftz -g -traceback
|
||||
|
||||
# Profiling flags
|
||||
#################
|
||||
#
|
||||
[PROFILE]
|
||||
FC : -p -g
|
||||
FCFLAGS : -xSSE4.2 -O2 -ip -ftz
|
||||
|
||||
# Debugging flags
|
||||
#################
|
||||
#
|
||||
# -traceback : Activate backtrace on runtime
|
||||
# -fpe0 : All floating point exaceptions
|
||||
# -C : Checks uninitialized variables, array subscripts, etc...
|
||||
# -g : Extra debugging information
|
||||
# -xSSE2 : Valgrind needs a very simple x86 executable
|
||||
#
|
||||
[DEBUG]
|
||||
FC : -g -traceback
|
||||
FCFLAGS : -xSSE2 -C -fpe0
|
||||
|
||||
# OpenMP flags
|
||||
#################
|
||||
#
|
||||
[OPENMP]
|
||||
FC : -openmp
|
||||
IRPF90_FLAGS : --openmp
|
||||
|
62
config/travis.cfg
Normal file
62
config/travis.cfg
Normal file
|
@ -0,0 +1,62 @@
|
|||
# Common flags
|
||||
##############
|
||||
#
|
||||
# -ffree-line-length-none : Needed for IRPF90 which produces long lines
|
||||
# -lblas -llapack : Link with libblas and liblapack libraries provided by the system
|
||||
# -I . : Include the curent directory (Mandatory)
|
||||
#
|
||||
# --ninja : Allow the utilisation of ninja. (Mandatory)
|
||||
# --align=32 : Align all provided arrays on a 32-byte boundary
|
||||
#
|
||||
#
|
||||
[COMMON]
|
||||
FC : gfortran -ffree-line-length-none -I . -g
|
||||
LAPACK_LIB : -llapack -lrefblas -ltmglib
|
||||
IRPF90 : irpf90
|
||||
IRPF90_FLAGS : --ninja --align=32 --assert
|
||||
|
||||
# Global options
|
||||
################
|
||||
#
|
||||
# 1 : Activate
|
||||
# 0 : Deactivate
|
||||
#
|
||||
[OPTION]
|
||||
MODE : DEBUG ; [ OPT | PROFILE | DEBUG ] : Chooses the section below
|
||||
CACHE : 1 ; Enable cache_compile.py
|
||||
OPENMP : 1 ; Append OpenMP flags
|
||||
|
||||
# Optimization flags
|
||||
####################
|
||||
#
|
||||
# -Ofast : Disregard strict standards compliance. Enables all -O3 optimizations.
|
||||
# It also enables optimizations that are not valid
|
||||
# for all standard-compliant programs. It turns on
|
||||
# -ffast-math and the Fortran-specific
|
||||
# -fno-protect-parens and -fstack-arrays.
|
||||
[OPT]
|
||||
FCFLAGS : -Ofast -march=native
|
||||
|
||||
# Profiling flags
|
||||
#################
|
||||
#
|
||||
[PROFILE]
|
||||
FC : -p -g
|
||||
FCFLAGS : -Ofast
|
||||
|
||||
# Debugging flags
|
||||
#################
|
||||
#
|
||||
# -fcheck=all : Checks uninitialized variables, array subscripts, etc...
|
||||
# -g : Extra debugging information
|
||||
#
|
||||
[DEBUG]
|
||||
FCFLAGS : -Ofast -fcheck=all -g -Waliasing -Wampersand -Wconversion -Wsurprising -Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation -Wreal-q-constant
|
||||
|
||||
# OpenMP flags
|
||||
#################
|
||||
#
|
||||
[OPENMP]
|
||||
FC : -fopenmp
|
||||
IRPF90_FLAGS : --openmp
|
||||
|
94
configure
vendored
94
configure
vendored
|
@ -1,8 +1,8 @@
|
|||
#!/usr/bin/env python
|
||||
#!/usr/bin/env python2
|
||||
# -*- coding: utf-8 -*-
|
||||
"""configure
|
||||
|
||||
Usage: configure <config_file> (--production | --development)
|
||||
Usage: configure <config_file>
|
||||
|
||||
|
||||
Options:
|
||||
|
@ -10,18 +10,10 @@ Options:
|
|||
config_file A config file with all the information for compiling.
|
||||
Example config_files are given in config/
|
||||
|
||||
--production You can only compile **all** the modules with this flag,
|
||||
but it will compile lighting fast.
|
||||
|
||||
--development this will create a build.ninja for each directory which
|
||||
contains a binary. In a second step you may compile them
|
||||
individually if you like.
|
||||
|
||||
|
||||
Examples:
|
||||
|
||||
./configure config/gfortran.cfg --production
|
||||
./configure config/ifort.cfg --development
|
||||
./configure config/gfortran.cfg
|
||||
./configure config/ifort.cfg
|
||||
|
||||
|
||||
"""
|
||||
|
@ -34,10 +26,7 @@ import sys
|
|||
|
||||
from os.path import join
|
||||
|
||||
if not any(i in ["--production", "--development"] for i in sys.argv):
|
||||
sys.argv += ["--development"]
|
||||
|
||||
if len(sys.argv) != 3:
|
||||
if len(sys.argv) != 2:
|
||||
print __doc__
|
||||
sys.exit()
|
||||
|
||||
|
@ -54,12 +43,13 @@ except KeyError:
|
|||
|
||||
QP_ROOT_BIN = join(QP_ROOT, "bin")
|
||||
QP_ROOT_LIB = join(QP_ROOT, "lib")
|
||||
QP_ROOT_LIB64 = join(QP_ROOT, "lib64")
|
||||
QP_ROOT_INSTALL = join(QP_ROOT, "install")
|
||||
|
||||
os.environ["PATH"] = os.environ["PATH"] + ":" + QP_ROOT_BIN
|
||||
|
||||
d_dependency = {
|
||||
"ocaml": ["m4", "curl", "zlib", "patch", "gcc", "zeromq"],
|
||||
"ocaml": ["m4", "curl", "zlib", "patch", "gcc", "zeromq", "gmp"],
|
||||
"m4": ["make"],
|
||||
"curl": ["make"],
|
||||
"zlib": ["gcc", "make"],
|
||||
|
@ -71,13 +61,14 @@ d_dependency = {
|
|||
"emsl": ["python"],
|
||||
"gcc": [],
|
||||
"g++": [],
|
||||
"zeromq" : [ "g++" ],
|
||||
"f77zmq" : [ "zeromq", "python" ],
|
||||
"zeromq" : [ "g++", "make" ],
|
||||
"f77zmq" : [ "zeromq", "python", "make" ],
|
||||
"python": [],
|
||||
"ninja": ["g++", "python"],
|
||||
"make": [],
|
||||
"p_graphviz": ["python"],
|
||||
"bats": []
|
||||
"bats": [],
|
||||
"gmp" : ["make", "g++"]
|
||||
}
|
||||
|
||||
from collections import namedtuple
|
||||
|
@ -85,10 +76,15 @@ from collections import namedtuple
|
|||
Info = namedtuple("Info", ["url", "description", "default_path"])
|
||||
|
||||
path_github = {"head": "http://github.com", "tail": "archive/master.tar.gz"}
|
||||
def path_gitlab(user,project,branch):
|
||||
"""For example,
|
||||
https://gitlab.com/scemama/resultsFile/-/archive/master/resultsFile-master.tar.gz
|
||||
"""
|
||||
return "http://gitlab.com/%(user)s/%(project)s/-/archive/%(branch)s/%(project)s-%(branch)s.tar.gz"%locals()
|
||||
|
||||
ocaml = Info(
|
||||
url='http://raw.github.com/ocaml/opam/master/shell/opam_installer.sh',
|
||||
description=' Ocaml, Opam and the Core library (it will take some time roughly 20min)',
|
||||
description=' OCaml, Opam and the Core library (it will take some time roughly 20min)',
|
||||
default_path=join(QP_ROOT_BIN, "opam"))
|
||||
|
||||
m4 = Info(
|
||||
|
@ -102,7 +98,7 @@ curl = Info(
|
|||
default_path=join(QP_ROOT_BIN, "curl"))
|
||||
|
||||
zlib = Info(
|
||||
url='http://zlib.net/zlib-1.2.8.tar.gz',
|
||||
url='http://www.zlib.net/zlib-1.2.11.tar.gz',
|
||||
description=' zlib',
|
||||
default_path=join(QP_ROOT_LIB, "libz.a"))
|
||||
|
||||
|
@ -122,7 +118,7 @@ docopt = Info(
|
|||
default_path=join(QP_ROOT_INSTALL, "docopt"))
|
||||
|
||||
resultsFile = Info(
|
||||
url='{head}/LCPQ/resultsFile/{tail}'.format(**path_github),
|
||||
url=path_gitlab("scemama","resultsFile","master"),
|
||||
description=' resultsFile',
|
||||
default_path=join(QP_ROOT_INSTALL, "resultsFile"))
|
||||
|
||||
|
@ -137,20 +133,24 @@ emsl = Info(
|
|||
default_path=join(QP_ROOT_INSTALL, "emsl"))
|
||||
|
||||
ezfio = Info(
|
||||
url='{head}/LCPQ/EZFIO/{tail}'.format(**path_github),
|
||||
url='https://gitlab.com/scemama/EZFIO/-/archive/v1.3.5/EZFIO-v1.3.5.tar.gz',
|
||||
description=' EZFIO',
|
||||
default_path=join(QP_ROOT_INSTALL, "EZFIO"))
|
||||
|
||||
zeromq = Info(
|
||||
url='https://github.com/zeromq/zeromq4-1/releases/download/v4.1.4/zeromq-4.1.4.tar.gz',
|
||||
url='https://github.com/zeromq/zeromq4-1/releases/download/v4.1.5/zeromq-4.1.5.tar.gz',
|
||||
description=' ZeroMQ',
|
||||
default_path=join(QP_ROOT_LIB, "libzmq.a"))
|
||||
|
||||
gmp= Info(
|
||||
url='ftp://ftp.gnu.org/gnu/gmp/gmp-6.1.2.tar.bz2',
|
||||
description=' The GNU Multiple Precision Arithmetic Library',
|
||||
default_path=join(QP_ROOT_LIB, "libgmp.a"))
|
||||
|
||||
f77zmq = Info(
|
||||
url='{head}/zeromq/f77_zmq/{tail}'.format(**path_github),
|
||||
description=' F77-ZeroMQ',
|
||||
default_path=join(QP_ROOT_LIB, "libf77zmq.a") )
|
||||
# join(QP_ROOT, "src", "ZMQ", "f77zmq.h") )
|
||||
|
||||
p_graphviz = Info(
|
||||
url='https://github.com/xflr6/graphviz/archive/master.tar.gz',
|
||||
|
@ -166,7 +166,7 @@ d_info = dict()
|
|||
|
||||
for m in ["ocaml", "m4", "curl", "zlib", "patch", "irpf90", "docopt",
|
||||
"resultsFile", "ninja", "emsl", "ezfio", "p_graphviz",
|
||||
"zeromq", "f77zmq","bats"]:
|
||||
"zeromq", "f77zmq", "bats", "gmp"]:
|
||||
exec ("d_info['{0}']={0}".format(m))
|
||||
|
||||
|
||||
|
@ -487,20 +487,38 @@ def create_ninja_and_rc(l_installed):
|
|||
|
||||
l_rc = [
|
||||
'export QP_ROOT={0}'.format(QP_ROOT),
|
||||
'#export QP_NIC=ib0 # Choose the correct network inuterface',
|
||||
'export QP_EZFIO={0}'.format(path_ezfio.replace(QP_ROOT,"${QP_ROOT}")),
|
||||
'export QP_PYTHON={0}'.format(":".join(l_python)), "",
|
||||
'export IRPF90={0}'.format(path_irpf90.replace(QP_ROOT,"${QP_ROOT}")),
|
||||
'export NINJA={0}'.format(path_ninja.replace(QP_ROOT,"${QP_ROOT}")),
|
||||
'export PYTHONPATH="${QP_EZFIO}/Python":"${QP_PYTHON}":"${PYTHONPATH}"',
|
||||
'export PATH="${QP_PYTHON}":"${QP_ROOT}"/bin:"${QP_ROOT}"/ocaml:"${PATH}"',
|
||||
'export LD_LIBRARY_PATH="${QP_ROOT}"/lib:"${LD_LIBRARY_PATH}"',
|
||||
'export LIBRARY_PATH="${QP_ROOT}"/lib:"${LIBRARY_PATH}"', "",
|
||||
'source ${QP_ROOT}/install/EZFIO/Bash/ezfio.sh', "",
|
||||
'source ${HOME}/.opam/opam-init/init.sh > /dev/null 2> /dev/null || true',
|
||||
""
|
||||
'function qp_prepend_export () {',
|
||||
' #Prepend path $2:${!1}. Add the semicolon only if ${!1} is defined',
|
||||
' eval "value_1=\"\${$1}\""',
|
||||
' echo ${value_1:+${value_1}:}${2}',
|
||||
'}',
|
||||
'export PYTHONPATH=$(qp_prepend_export "PYTHONPATH" "${QP_EZFIO}/Python":"${QP_PYTHON}")',
|
||||
'export PATH=$(qp_prepend_export "PATH" "${QP_PYTHON}":"${QP_ROOT}"/bin:"${QP_ROOT}"/ocaml)',
|
||||
'export LD_LIBRARY_PATH=$(qp_prepend_export "LD_LIBRARY_PATH" "${QP_ROOT}"/lib:"${QP_ROOT}"/lib64)',
|
||||
'export LIBRARY_PATH=$(qp_prepend_export "LIBRARY_PATH" "${QP_ROOT}"/lib:"${QP_ROOT}"/lib64)',
|
||||
'export C_INCLUDE_PATH=$(qp_prepend_export "C_INCLUDE_PATH" "${QP_ROOT}"/include)',
|
||||
'',
|
||||
'if [[ $SHELL == "bash" ]] ; then',
|
||||
' source ${QP_ROOT}/install/EZFIO/Bash/ezfio.sh',
|
||||
'fi',
|
||||
'',
|
||||
'# Choose the correct network interface',
|
||||
'# export QP_NIC=ib0',
|
||||
'# export QP_NIC=eth0',
|
||||
''
|
||||
]
|
||||
|
||||
qp_opam_root = os.getenv('OPAMROOT')
|
||||
if not qp_opam_root:
|
||||
qp_opam_root = '${HOME}/.opam'
|
||||
l_rc.append('export QP_OPAM={0}'.format(qp_opam_root))
|
||||
l_rc.append('source ${QP_OPAM}/opam-init/init.sh > /dev/null 2> /dev/null || true')
|
||||
l_rc.append('')
|
||||
|
||||
path = join(QP_ROOT, "quantum_package.rc")
|
||||
with open(path, "w+") as f:
|
||||
f.write("\n".join(l_rc))
|
||||
|
@ -518,15 +536,16 @@ def create_ninja_and_rc(l_installed):
|
|||
qp_create_ninja = os.path.join(QP_ROOT, "scripts", "compilation",
|
||||
"qp_create_ninja.py")
|
||||
|
||||
l = [qp_create_ninja, "create"] + sys.argv[1:]
|
||||
l = [qp_create_ninja, "create", "--development"] + sys.argv[1:]
|
||||
|
||||
try:
|
||||
with open('/dev/null', 'w') as dnull:
|
||||
subprocess.check_call(" ".join(l), shell=True,stderr=dnull)
|
||||
subprocess.check_call(" ".join(l), shell=True, stderr=dnull)
|
||||
except:
|
||||
print "[ FAIL ]"
|
||||
print "Check the validity of the config file provided ({0})".format(sys.argv[1])
|
||||
print "Exit..."
|
||||
raise
|
||||
sys.exit(1)
|
||||
|
||||
else:
|
||||
|
@ -543,7 +562,6 @@ def recommendation():
|
|||
print ""
|
||||
print "Finally :"
|
||||
print " ninja"
|
||||
print " make -C ocaml"
|
||||
print ""
|
||||
print "You can install more plugin with the qp_module.py install command"
|
||||
print "PS : For more info on compiling the code, read the README.md"
|
||||
|
|
10
data/Symmetry/C1
Normal file
10
data/Symmetry/C1
Normal file
|
@ -0,0 +1,10 @@
|
|||
Group C1
|
||||
n 1
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
|
||||
Table
|
||||
1
|
||||
1 1.00000
|
||||
|
20
data/Symmetry/C10
Normal file
20
data/Symmetry/C10
Normal file
|
@ -0,0 +1,20 @@
|
|||
Group C10
|
||||
n 6
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 B C10
|
||||
3 E1 C5
|
||||
4 E2 C10^3
|
||||
5 E3 C5^2
|
||||
6 E4 C2
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.61800 0.61800 -0.61800 -1.61800 -2.00000
|
||||
4 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000
|
||||
5 2.00000 -0.61800 -1.61800 1.61800 0.61800 -2.00000
|
||||
6 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000
|
||||
|
32
data/Symmetry/C10h
Normal file
32
data/Symmetry/C10h
Normal file
|
@ -0,0 +1,32 @@
|
|||
Group C10h
|
||||
n 12
|
||||
|
||||
Irred Operation
|
||||
1 Ag E
|
||||
2 Bg C10
|
||||
3 E1g C5
|
||||
4 E2g C10^3
|
||||
5 E3g C5^2
|
||||
6 E4g C2
|
||||
7 Au i
|
||||
8 Bu S10
|
||||
9 E1u S5
|
||||
10 E2u S10^3
|
||||
11 E3u S5^2
|
||||
12 E4u sh
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.61800 0.61800 -0.61800 -1.61800 -2.00000 2.00000 -1.61800 -0.61800 0.61800 1.61800 -2.00000
|
||||
4 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000
|
||||
5 2.00000 -0.61800 -1.61800 1.61800 0.61800 -2.00000 2.00000 0.61800 1.61800 -1.61800 -0.61800 -2.00000
|
||||
6 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000
|
||||
7 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
8 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000
|
||||
9 2.00000 1.61800 0.61800 -0.61800 -1.61800 -2.00000 -2.00000 1.61800 0.61800 -0.61800 -1.61800 2.00000
|
||||
10 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000 -2.00000 -0.61800 1.61800 1.61800 -0.61800 -2.00000
|
||||
11 2.00000 -0.61800 -1.61800 1.61800 0.61800 -2.00000 -2.00000 -0.61800 -1.61800 1.61800 0.61800 2.00000
|
||||
12 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000 -2.00000 1.61800 -0.61800 -0.61800 1.61800 -2.00000
|
||||
|
24
data/Symmetry/C10v
Normal file
24
data/Symmetry/C10v
Normal file
|
@ -0,0 +1,24 @@
|
|||
Group C10v
|
||||
n 8
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C10
|
||||
3 B1 C5
|
||||
4 B2 C10^3
|
||||
5 E1 C5^2
|
||||
6 E2 C2
|
||||
7 E3 sv
|
||||
8 E4 sd
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
4 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000 1.00000
|
||||
5 2.00000 1.61800 0.61800 -0.61800 -1.61800 -2.00000 0.00000 0.00000
|
||||
6 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000 0.00000 0.00000
|
||||
7 2.00000 -0.61800 -1.61800 1.61800 0.61800 -2.00000 0.00000 0.00000
|
||||
8 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000 0.00000 0.00000
|
||||
|
20
data/Symmetry/C11
Normal file
20
data/Symmetry/C11
Normal file
|
@ -0,0 +1,20 @@
|
|||
Group C11
|
||||
n 6
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 E1 C11
|
||||
3 E2 C11^2
|
||||
4 E3 C11^3
|
||||
5 E4 C11^4
|
||||
6 E5 C11^5
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 2.00000 1.68250 0.83080 -0.28460 -1.30970 -1.91890
|
||||
3 2.00000 0.83080 -1.30970 -1.91890 -0.28460 1.68250
|
||||
4 2.00000 -0.28460 -1.91890 0.83080 1.68250 -1.30970
|
||||
5 2.00000 -1.30970 -0.28460 1.68250 -1.91890 0.83080
|
||||
6 2.00000 -1.91890 1.68250 -1.30970 0.83080 -0.28460
|
||||
|
32
data/Symmetry/C11h
Normal file
32
data/Symmetry/C11h
Normal file
|
@ -0,0 +1,32 @@
|
|||
Group C11h
|
||||
n 12
|
||||
|
||||
Irred Operation
|
||||
1 A' E
|
||||
2 A" C11
|
||||
3 E1' C11^2
|
||||
4 E1" C11^3
|
||||
5 E2' C11^4
|
||||
6 E2" C11^5
|
||||
7 E3' sh
|
||||
8 E3" S11
|
||||
9 E4' S11^3
|
||||
10 E4" S11^5
|
||||
11 E5' S11^7
|
||||
12 E5" S11^9
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.68250 0.83080 -0.28460 -1.30970 -1.91890 2.00000 1.68250 -0.28460 -1.91890 -1.30970 0.83080
|
||||
4 2.00000 1.68250 0.83080 -0.28460 -1.30970 -1.91890 -2.00000 -1.68250 0.28460 1.91890 1.30970 -0.83080
|
||||
5 2.00000 0.83080 -1.30970 -1.91890 -0.28460 1.68250 2.00000 0.83080 -1.91890 1.68250 -0.28460 -1.30970
|
||||
6 2.00000 0.83080 -1.30970 -1.91890 -0.28460 1.68250 -2.00000 -0.83080 1.91890 -1.68250 0.28460 1.30970
|
||||
7 2.00000 -0.28460 -1.91890 0.83080 1.68250 -1.30970 2.00000 -0.28460 0.83080 -1.30970 1.68250 -1.91890
|
||||
8 2.00000 -0.28460 -1.91890 0.83080 1.68250 -1.30970 -2.00000 0.28460 -0.83080 1.30970 -1.68250 1.91890
|
||||
9 2.00000 -1.30970 -0.28460 1.68250 -1.91890 0.83080 2.00000 -1.30970 1.68250 0.83080 -1.91890 -0.28460
|
||||
10 2.00000 -1.30970 -0.28460 1.68250 -1.91890 0.83080 -2.00000 1.30970 -1.68250 -0.83080 1.91890 0.28460
|
||||
11 2.00000 -1.91890 1.68250 -1.30970 0.83080 -0.28460 2.00000 -1.91890 -1.30970 -0.28460 0.83080 1.68250
|
||||
12 2.00000 -1.91890 1.68250 -1.30970 0.83080 -0.28460 -2.00000 1.91890 1.30970 0.28460 -0.83080 -1.68250
|
||||
|
22
data/Symmetry/C11v
Normal file
22
data/Symmetry/C11v
Normal file
|
@ -0,0 +1,22 @@
|
|||
Group C11v
|
||||
n 7
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C11
|
||||
3 E1 C11^2
|
||||
4 E2 C11^3
|
||||
5 E3 C11^4
|
||||
6 E4 C11^5
|
||||
7 E5 sv
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.68250 0.83080 -0.28460 -1.30970 -1.91890 0.00000
|
||||
4 2.00000 0.83080 -1.30970 -1.91890 -0.28460 1.68250 0.00000
|
||||
5 2.00000 -0.28460 -1.91890 0.83080 1.68250 -1.30970 0.00000
|
||||
6 2.00000 -1.30970 -0.28460 1.68250 -1.91890 0.83080 0.00000
|
||||
7 2.00000 -1.91890 1.68250 -1.30970 0.83080 -0.28460 0.00000
|
||||
|
22
data/Symmetry/C12
Normal file
22
data/Symmetry/C12
Normal file
|
@ -0,0 +1,22 @@
|
|||
Group C12
|
||||
n 7
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 B C12
|
||||
3 E1 C6
|
||||
4 E2 C4
|
||||
5 E3 C3
|
||||
6 E4 C12^5
|
||||
7 E5 C2
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
3 2.00000 1.73200 1.00000 0.00000 -1.00000 -1.73200 -2.00000
|
||||
4 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000
|
||||
5 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000
|
||||
6 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000
|
||||
7 2.00000 -1.73200 1.00000 0.00000 -1.00000 1.73200 -2.00000
|
||||
|
36
data/Symmetry/C12h
Normal file
36
data/Symmetry/C12h
Normal file
|
@ -0,0 +1,36 @@
|
|||
Group C12h
|
||||
n 14
|
||||
|
||||
Irred Operation
|
||||
1 Ag E
|
||||
2 Bg C12
|
||||
3 E1g C6
|
||||
4 E2g C4
|
||||
5 E3g C3
|
||||
6 E4g C12^5
|
||||
7 E5g C2
|
||||
8 Au i
|
||||
9 Bu S12
|
||||
10 E1u S6
|
||||
11 E2u S4
|
||||
12 E3u S3
|
||||
13 E4u S12^5
|
||||
14 E5u sh
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
3 2.00000 1.73200 1.00000 0.00000 -1.00000 -1.73200 -2.00000 2.00000 -1.73200 -1.00000 0.00000 1.00000 1.73200 -2.00000
|
||||
4 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000
|
||||
5 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 -2.00000
|
||||
6 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000
|
||||
7 2.00000 -1.73200 1.00000 0.00000 -1.00000 1.73200 -2.00000 2.00000 1.73200 -1.00000 0.00000 1.00000 -1.73200 -2.00000
|
||||
8 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
9 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
10 2.00000 1.73200 1.00000 0.00000 -1.00000 -1.73200 -2.00000 -2.00000 1.73200 1.00000 0.00000 -1.00000 -1.73200 2.00000
|
||||
11 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000
|
||||
12 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 -2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 2.00000
|
||||
13 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000
|
||||
14 2.00000 -1.73200 1.00000 0.00000 -1.00000 1.73200 -2.00000 -2.00000 -1.73200 1.00000 0.00000 -1.00000 1.73200 2.00000
|
||||
|
26
data/Symmetry/C12v
Normal file
26
data/Symmetry/C12v
Normal file
|
@ -0,0 +1,26 @@
|
|||
Group C12v
|
||||
n 9
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C12
|
||||
3 B1 C6
|
||||
4 B2 C4
|
||||
5 E1 C3
|
||||
6 E2 C12^5
|
||||
7 E3 C2
|
||||
8 E4 sv
|
||||
9 E5 sd
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000
|
||||
4 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
5 2.00000 1.73200 1.00000 0.00000 -1.00000 -1.73200 -2.00000 0.00000 0.00000
|
||||
6 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 0.00000 0.00000
|
||||
7 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 0.00000
|
||||
8 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 0.00000 0.00000
|
||||
9 2.00000 -1.73200 1.00000 0.00000 -1.00000 1.73200 -2.00000 0.00000 0.00000
|
||||
|
22
data/Symmetry/C13
Normal file
22
data/Symmetry/C13
Normal file
|
@ -0,0 +1,22 @@
|
|||
Group C13
|
||||
n 7
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 E1 C13
|
||||
3 E2 C13^2
|
||||
4 E3 C13^3
|
||||
5 E4 C13^4
|
||||
6 E5 C13^5
|
||||
7 E6 C13^6
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 2.00000 1.77090 1.13610 0.24100 -0.70920 -1.49700 -1.94180
|
||||
3 2.00000 1.13610 -0.70920 -1.94180 -1.49700 0.24100 1.77090
|
||||
4 2.00000 0.24100 -1.94180 -0.70920 1.77090 1.13610 -1.49700
|
||||
5 2.00000 -0.70920 -1.49700 1.77090 0.24100 -1.94180 1.13610
|
||||
6 2.00000 -1.49700 0.24100 1.13610 -1.94180 1.77090 -0.70920
|
||||
7 2.00000 -1.94180 1.77090 -1.49700 1.13610 -0.70920 0.24100
|
||||
|
36
data/Symmetry/C13h
Normal file
36
data/Symmetry/C13h
Normal file
|
@ -0,0 +1,36 @@
|
|||
Group C13h
|
||||
n 14
|
||||
|
||||
Irred Operation
|
||||
1 A' E
|
||||
2 A" C13
|
||||
3 E1' C13^2
|
||||
4 E1" C13^3
|
||||
5 E2' C13^4
|
||||
6 E2" C13^5
|
||||
7 E3' C13^6
|
||||
8 E3" sh
|
||||
9 E4' S13
|
||||
10 E4" S13^3
|
||||
11 E5' S13^5
|
||||
12 E5" S13^7
|
||||
13 E6' S13^9
|
||||
14 E6" S13^11
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.77091 1.13613 0.24107 -0.70921 -1.49702 -1.94188 2.00000 1.77091 0.24107 -1.49702 -1.94188 -0.70921 1.13613
|
||||
4 2.00000 1.77091 1.13613 0.24107 -0.70921 -1.49702 -1.94188 -2.00000 -1.77091 -0.24107 1.49702 1.94188 0.70921 -1.13613
|
||||
5 2.00000 1.13613 -0.70921 -1.94188 -1.49702 0.24107 1.77091 2.00000 1.13613 -1.94188 0.24107 1.77091 -1.49702 -0.70921
|
||||
6 2.00000 1.13613 -0.70921 -1.94188 -1.49702 0.24107 1.77091 -2.00000 -1.13613 1.94188 -0.24107 -1.77091 1.49702 0.70921
|
||||
7 2.00000 0.24107 -1.94188 -0.70921 1.77091 1.13613 -1.49702 2.00000 0.24107 -0.70921 1.13613 -1.49702 1.77091 -1.94188
|
||||
8 2.00000 0.24107 -1.94188 -0.70921 1.77091 1.13613 -1.49702 -2.00000 -0.24107 0.70921 -1.13613 1.49702 -1.77091 1.94188
|
||||
9 2.00000 -0.70921 -1.49702 1.77091 0.24107 -1.94188 1.13613 2.00000 -0.70921 1.77091 -1.94188 1.13613 0.24107 -1.49702
|
||||
10 2.00000 -0.70921 -1.49702 1.77091 0.24107 -1.94188 1.13613 -2.00000 0.70921 -1.77091 1.94188 -1.13613 -0.24107 1.49702
|
||||
11 2.00000 -1.49702 0.24107 1.13613 -1.94188 1.77091 -0.70921 2.00000 -1.49702 1.13613 1.77091 -0.70921 -1.94188 0.24107
|
||||
12 2.00000 -1.49702 0.24107 1.13613 -1.94188 1.77091 -0.70921 -2.00000 1.49702 -1.13613 -1.77091 0.70921 1.94188 -0.24107
|
||||
13 2.00000 -1.94188 1.77091 -1.49702 1.13613 -0.70921 0.24107 2.00000 -1.94188 -1.49702 -0.70921 0.24107 1.13613 1.77091
|
||||
14 2.00000 -1.94188 1.77091 -1.49702 1.13613 -0.70921 0.24107 -2.00000 1.94188 1.49702 0.70921 -0.24107 -1.13613 -1.77091
|
||||
|
24
data/Symmetry/C13v
Normal file
24
data/Symmetry/C13v
Normal file
|
@ -0,0 +1,24 @@
|
|||
Group C13v
|
||||
n 8
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C13
|
||||
3 E1 C13^2
|
||||
4 E2 C13^3
|
||||
5 E3 C13^4
|
||||
6 E4 C13^5
|
||||
7 E5 C13^6
|
||||
8 E6 sv
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.77090 1.13610 0.24100 -0.70920 -1.49700 -1.94180 0.00000
|
||||
4 2.00000 1.13610 -0.70920 -1.94180 -1.49700 0.24100 1.77090 0.00000
|
||||
5 2.00000 0.24100 -1.94180 -0.70920 1.77090 1.13610 -1.49700 0.00000
|
||||
6 2.00000 -0.70920 -1.49700 1.77090 0.24100 -1.94180 1.13610 0.00000
|
||||
7 2.00000 -1.49700 0.24100 1.13610 -1.94180 1.77090 -0.70920 0.00000
|
||||
8 2.00000 -1.94180 1.77090 -1.49700 1.13610 -0.70920 0.24100 0.00000
|
||||
|
24
data/Symmetry/C14
Normal file
24
data/Symmetry/C14
Normal file
|
@ -0,0 +1,24 @@
|
|||
Group C14
|
||||
n 8
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 B C14
|
||||
3 E1 C7
|
||||
4 E2 C14^3
|
||||
5 E3 C7^2
|
||||
6 E4 C14^5
|
||||
7 E5 C7^3
|
||||
8 E6 C2
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.80190 1.24690 0.44500 -0.44500 -1.24690 -1.80190 -2.00000
|
||||
4 2.00000 1.24690 -0.44500 -1.80190 -1.80190 -0.44500 1.24690 2.00000
|
||||
5 2.00000 0.44500 -1.80190 -1.24690 1.24690 1.80190 -0.44500 -2.00000
|
||||
6 2.00000 -0.44500 -1.80190 1.24690 1.24690 -1.80190 -0.44500 2.00000
|
||||
7 2.00000 -1.24690 -0.44500 1.80190 -1.80190 0.44500 1.24690 -2.00000
|
||||
8 2.00000 -1.80190 1.24690 -0.44500 -0.44500 1.24690 -1.80190 2.00000
|
||||
|
40
data/Symmetry/C14h
Normal file
40
data/Symmetry/C14h
Normal file
|
@ -0,0 +1,40 @@
|
|||
Group C14h
|
||||
n 16
|
||||
|
||||
Irred Operation
|
||||
1 Ag E
|
||||
2 Bg C14
|
||||
3 E1g C7
|
||||
4 E2g C14^3
|
||||
5 E3g C7^2
|
||||
6 E4g C14^5
|
||||
7 E5g C7^3
|
||||
8 E6g C2
|
||||
9 Au i
|
||||
10 Bu S14
|
||||
11 E1u S7
|
||||
12 E2u S14^3
|
||||
13 E3u S7^2
|
||||
14 E4u S14^5
|
||||
15 E5u S7^3
|
||||
16 E6u sh
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.80190 1.24690 0.44500 -0.44500 -1.24690 -1.80190 -2.00000 2.00000 -1.80190 -1.24690 -0.44500 0.44500 1.24690 1.80190 -2.00000
|
||||
4 2.00000 1.24690 -0.44500 -1.80190 -1.80190 -0.44500 1.24690 2.00000 2.00000 1.24690 -0.44500 -1.80190 -1.80190 -0.44500 1.24690 2.00000
|
||||
5 2.00000 0.44500 -1.80190 -1.24690 1.24690 1.80190 -0.44500 -2.00000 2.00000 -0.44500 1.80190 1.24690 -1.24690 -1.80190 0.44500 -2.00000
|
||||
6 2.00000 -0.44500 -1.80190 1.24690 1.24690 -1.80190 -0.44500 2.00000 2.00000 -0.44500 -1.80190 1.24690 1.24690 -1.80190 -0.44500 2.00000
|
||||
7 2.00000 -1.24690 -0.44500 1.80190 -1.80190 0.44500 1.24690 -2.00000 2.00000 1.24690 0.44500 -1.80190 1.80190 -0.44500 -1.24690 -2.00000
|
||||
8 2.00000 -1.80190 1.24690 -0.44500 -0.44500 1.24690 -1.80190 2.00000 2.00000 -1.80190 1.24690 -0.44500 -0.44500 1.24690 -1.80190 2.00000
|
||||
9 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
10 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000
|
||||
11 2.00000 1.80190 1.24690 0.44500 -0.44500 -1.24690 -1.80190 -2.00000 -2.00000 1.80190 1.24690 0.44500 -0.44500 -1.24690 -1.80190 2.00000
|
||||
12 2.00000 1.24690 -0.44500 -1.80190 -1.80190 -0.44500 1.24690 2.00000 -2.00000 -1.24690 0.44500 1.80190 1.80190 0.44500 -1.24690 -2.00000
|
||||
13 2.00000 0.44500 -1.80190 -1.24690 1.24690 1.80190 -0.44500 -2.00000 -2.00000 0.44500 -1.80190 -1.24690 1.24690 1.80190 -0.44500 2.00000
|
||||
14 2.00000 -0.44500 -1.80190 1.24690 1.24690 -1.80190 -0.44500 2.00000 -2.00000 0.44500 1.80190 -1.24690 -1.24690 1.80190 0.44500 -2.00000
|
||||
15 2.00000 -1.24690 -0.44500 1.80190 -1.80190 0.44500 1.24690 -2.00000 -2.00000 -1.24690 -0.44500 1.80190 -1.80190 0.44500 1.24690 2.00000
|
||||
16 2.00000 -1.80190 1.24690 -0.44500 -0.44500 1.24690 -1.80190 2.00000 -2.00000 1.80190 -1.24690 0.44500 0.44500 -1.24690 1.80190 -2.00000
|
||||
|
28
data/Symmetry/C14v
Normal file
28
data/Symmetry/C14v
Normal file
|
@ -0,0 +1,28 @@
|
|||
Group C14v
|
||||
n 10
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C14
|
||||
3 B1 C7
|
||||
4 B2 C14^3
|
||||
5 E1 C7^2
|
||||
6 E2 C14^5
|
||||
7 E3 C7^3
|
||||
8 E4 C2
|
||||
9 E5 sv
|
||||
10 E6 sd
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
4 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000 1.00000
|
||||
5 2.00000 1.80190 1.24690 0.44500 -0.44500 -1.24690 -1.80190 -2.00000 0.00000 0.00000
|
||||
6 2.00000 1.24690 -0.44500 -1.80190 -1.80190 -0.44500 1.24690 2.00000 0.00000 0.00000
|
||||
7 2.00000 0.44500 -1.80190 -1.24690 1.24690 1.80190 -0.44500 -2.00000 0.00000 0.00000
|
||||
8 2.00000 -0.44500 -1.80190 1.24690 1.24690 -1.80190 -0.44500 2.00000 0.00000 0.00000
|
||||
9 2.00000 -1.24690 -0.44500 1.80190 -1.80190 0.44500 1.24690 -2.00000 0.00000 0.00000
|
||||
10 2.00000 -1.80190 1.24690 -0.44500 -0.44500 1.24690 -1.80190 2.00000 0.00000 0.00000
|
||||
|
24
data/Symmetry/C15
Normal file
24
data/Symmetry/C15
Normal file
|
@ -0,0 +1,24 @@
|
|||
Group C15
|
||||
n 8
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 E1 C15
|
||||
3 E2 C15^2
|
||||
4 E3 C5
|
||||
5 E4 C15^4
|
||||
6 E5 C3
|
||||
7 E6 C5^2
|
||||
8 E7 C15^7
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 2.00000 1.82700 1.33820 0.61800 -0.20900 -1.00000 -1.61800 -1.95630
|
||||
3 2.00000 1.33820 -0.20900 -1.61800 -1.95630 -1.00000 0.61800 1.82700
|
||||
4 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000 0.61800 -1.61800
|
||||
5 2.00000 -0.20900 -1.95630 0.61800 1.82700 -1.00000 -1.61800 1.33820
|
||||
6 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000
|
||||
7 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000 -1.61800 0.61800
|
||||
8 2.00000 -1.95630 1.82700 -1.61800 1.33820 -1.00000 0.61800 -0.20900
|
||||
|
40
data/Symmetry/C15h
Normal file
40
data/Symmetry/C15h
Normal file
|
@ -0,0 +1,40 @@
|
|||
Group C15h
|
||||
n 16
|
||||
|
||||
Irred Operation
|
||||
1 A' E
|
||||
2 A" C15
|
||||
3 E1' C15^2
|
||||
4 E1" C5
|
||||
5 E2' C15^4
|
||||
6 E2" C3
|
||||
7 E3' C5^2
|
||||
8 E3" C15^7
|
||||
9 E4' sh
|
||||
10 E4" S15
|
||||
11 E5' S5
|
||||
12 E5" S3
|
||||
13 E6' S15^7
|
||||
14 E6" S5^3
|
||||
15 E7' S15^11
|
||||
16 E7" S15^13
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.82709 1.33826 0.61803 -0.20906 -1.00000 -1.61803 -1.95630 2.00000 1.82709 0.61803 -1.00000 -1.95630 -1.61803 -0.20906 1.33826
|
||||
4 2.00000 1.82709 1.33826 0.61803 -0.20906 -1.00000 -1.61803 -1.95630 -2.00000 -1.82709 -0.61803 1.00000 1.95630 1.61803 0.20906 -1.33826
|
||||
5 2.00000 1.33826 -0.20906 -1.61803 -1.95630 -1.00000 0.61803 1.82709 2.00000 1.33826 -1.61803 -1.00000 1.82709 0.61803 -1.95630 -0.20906
|
||||
6 2.00000 1.33826 -0.20906 -1.61803 -1.95630 -1.00000 0.61803 1.82709 -2.00000 -1.33826 1.61803 1.00000 -1.82709 -0.61803 1.95630 0.20906
|
||||
7 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 2.00000 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803
|
||||
8 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -2.00000 -0.61803 1.61803 -2.00000 1.61803 -0.61803 -0.61803 1.61803
|
||||
9 2.00000 -0.20906 -1.95630 0.61803 1.82709 -1.00000 -1.61803 1.33826 2.00000 -0.20906 0.61803 -1.00000 1.33826 -1.61803 1.82709 -1.95630
|
||||
10 2.00000 -0.20906 -1.95630 0.61803 1.82709 -1.00000 -1.61803 1.33826 -2.00000 0.20906 -0.61803 1.00000 -1.33826 1.61803 -1.82709 1.95630
|
||||
11 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 2.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000
|
||||
12 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -2.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000
|
||||
13 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 2.00000 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803
|
||||
14 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 -2.00000 1.61803 -0.61803 -2.00000 -0.61803 1.61803 1.61803 -0.61803
|
||||
15 2.00000 -1.95630 1.82709 -1.61803 1.33826 -1.00000 0.61803 -0.20906 2.00000 -1.95630 -1.61803 -1.00000 -0.20906 0.61803 1.33826 1.82709
|
||||
16 2.00000 -1.95630 1.82709 -1.61803 1.33826 -1.00000 0.61803 -0.20906 -2.00000 1.95630 1.61803 1.00000 0.20906 -0.61803 -1.33826 -1.82709
|
||||
|
26
data/Symmetry/C15v
Normal file
26
data/Symmetry/C15v
Normal file
|
@ -0,0 +1,26 @@
|
|||
Group C15v
|
||||
n 9
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C15
|
||||
3 E1 C15^2
|
||||
4 E2 C5
|
||||
5 E3 C15^4
|
||||
6 E4 C3
|
||||
7 E5 C5^2
|
||||
8 E6 C15^7
|
||||
9 E7 sv
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.82700 1.33820 0.61800 -0.20900 -1.00000 -1.61800 -1.95630 0.00000
|
||||
4 2.00000 1.33820 -0.20900 -1.61800 -1.95630 -1.00000 0.61800 1.82700 0.00000
|
||||
5 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000 0.61800 -1.61800 0.00000
|
||||
6 2.00000 -0.20900 -1.95630 0.61800 1.82700 -1.00000 -1.61800 1.33820 0.00000
|
||||
7 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 0.00000
|
||||
8 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000 -1.61800 0.61800 0.00000
|
||||
9 2.00000 -1.95630 1.82700 -1.61800 1.33820 -1.00000 0.61800 -0.20900 0.00000
|
||||
|
26
data/Symmetry/C16
Normal file
26
data/Symmetry/C16
Normal file
|
@ -0,0 +1,26 @@
|
|||
Group C16
|
||||
n 9
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 B C16
|
||||
3 E1 C8
|
||||
4 E2 C16^3
|
||||
5 E3 C4
|
||||
6 E4 C16^5
|
||||
7 E5 C8^3
|
||||
8 E6 C16^7
|
||||
9 E7 C2
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
3 2.00000 1.84770 1.41420 0.76530 0.00000 -0.76530 -1.41420 -1.84770 -2.00000
|
||||
4 2.00000 1.41420 0.00000 -1.41420 -2.00000 -1.41420 0.00000 1.41420 2.00000
|
||||
5 2.00000 0.76530 -1.41420 -1.84770 0.00000 1.84770 1.41420 -0.76530 -2.00000
|
||||
6 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000
|
||||
7 2.00000 -0.76530 -1.41420 1.84770 0.00000 -1.84770 1.41420 0.76530 -2.00000
|
||||
8 2.00000 -1.41420 0.00000 1.41420 -2.00000 1.41420 0.00000 -1.41420 2.00000
|
||||
9 2.00000 -1.84770 1.41420 -0.76530 0.00000 0.76530 -1.41420 1.84770 -2.00000
|
||||
|
44
data/Symmetry/C16h
Normal file
44
data/Symmetry/C16h
Normal file
|
@ -0,0 +1,44 @@
|
|||
Group C16h
|
||||
n 18
|
||||
|
||||
Irred Operation
|
||||
1 Ag E
|
||||
2 Bg C16
|
||||
3 E1g C8
|
||||
4 E2g C16^3
|
||||
5 E3g C4
|
||||
6 E4g C16^5
|
||||
7 E5g C8^3
|
||||
8 E6g C16^7
|
||||
9 E7g C2
|
||||
10 Au i
|
||||
11 Bu S16
|
||||
12 E1u S8
|
||||
13 E2u S16^3
|
||||
14 E3u S4
|
||||
15 E4u S16^5
|
||||
16 E5u S8^3
|
||||
17 E6u S16^7
|
||||
18 E7u sh
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
3 2.00000 1.84770 1.41420 0.76530 0.00000 -0.76530 -1.41420 -1.84770 -2.00000 2.00000 -1.84770 -1.41420 -0.76530 0.00000 0.76530 1.41420 1.84770 -2.00000
|
||||
4 2.00000 1.41420 0.00000 -1.41420 -2.00000 -1.41420 0.00000 1.41420 2.00000 2.00000 1.41420 0.00000 -1.41420 -2.00000 -1.41420 0.00000 1.41420 2.00000
|
||||
5 2.00000 0.76530 -1.41420 -1.84770 0.00000 1.84770 1.41420 -0.76530 -2.00000 2.00000 -0.76530 1.41420 1.84770 0.00000 -1.84770 -1.41420 0.76530 -2.00000
|
||||
6 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000
|
||||
7 2.00000 -0.76530 -1.41420 1.84770 0.00000 -1.84770 1.41420 0.76530 -2.00000 2.00000 0.76530 1.41420 -1.84770 0.00000 1.84770 -1.41420 -0.76530 -2.00000
|
||||
8 2.00000 -1.41420 0.00000 1.41420 -2.00000 1.41420 0.00000 -1.41420 2.00000 2.00000 -1.41420 0.00000 1.41420 -2.00000 1.41420 0.00000 -1.41420 2.00000
|
||||
9 2.00000 -1.84770 1.41420 -0.76530 0.00000 0.76530 -1.41420 1.84770 -2.00000 2.00000 1.84770 -1.41420 0.76530 0.00000 -0.76530 1.41420 -1.84770 -2.00000
|
||||
10 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
11 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
12 2.00000 1.84770 1.41420 0.76530 0.00000 -0.76530 -1.41420 -1.84770 -2.00000 -2.00000 1.84770 1.41420 0.76530 0.00000 -0.76530 -1.41420 -1.84770 2.00000
|
||||
13 2.00000 1.41420 0.00000 -1.41420 -2.00000 -1.41420 0.00000 1.41420 2.00000 -2.00000 -1.41420 0.00000 1.41420 2.00000 1.41420 0.00000 -1.41420 -2.00000
|
||||
14 2.00000 0.76530 -1.41420 -1.84770 0.00000 1.84770 1.41420 -0.76530 -2.00000 -2.00000 0.76530 -1.41420 -1.84770 0.00000 1.84770 1.41420 -0.76530 2.00000
|
||||
15 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000
|
||||
16 2.00000 -0.76530 -1.41420 1.84770 0.00000 -1.84770 1.41420 0.76530 -2.00000 -2.00000 -0.76530 -1.41420 1.84770 0.00000 -1.84770 1.41420 0.76530 2.00000
|
||||
17 2.00000 -1.41420 0.00000 1.41420 -2.00000 1.41420 0.00000 -1.41420 2.00000 -2.00000 1.41420 0.00000 -1.41420 2.00000 -1.41420 0.00000 1.41420 -2.00000
|
||||
18 2.00000 -1.84770 1.41420 -0.76530 0.00000 0.76530 -1.41420 1.84770 -2.00000 -2.00000 -1.84770 1.41420 -0.76530 0.00000 0.76530 -1.41420 1.84770 2.00000
|
||||
|
30
data/Symmetry/C16v
Normal file
30
data/Symmetry/C16v
Normal file
|
@ -0,0 +1,30 @@
|
|||
Group C16v
|
||||
n 11
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C16
|
||||
3 B1 C8
|
||||
4 B2 C16^3
|
||||
5 E1 C4
|
||||
6 E2 C16^5
|
||||
7 E3 C8^3
|
||||
8 E4 C16^7
|
||||
9 E5 C2
|
||||
10 E6 sv
|
||||
11 E7 sd
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000
|
||||
4 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
5 2.00000 1.84770 1.41420 0.76530 0.00000 -0.76530 -1.41420 -1.84770 -2.00000 0.00000 0.00000
|
||||
6 2.00000 1.41420 0.00000 -1.41420 -2.00000 -1.41420 0.00000 1.41420 2.00000 0.00000 0.00000
|
||||
7 2.00000 0.76530 -1.41420 -1.84770 0.00000 1.84770 1.41420 -0.76530 -2.00000 0.00000 0.00000
|
||||
8 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 0.00000
|
||||
9 2.00000 -0.76530 -1.41420 1.84770 0.00000 -1.84770 1.41420 0.76530 -2.00000 0.00000 0.00000
|
||||
10 2.00000 -1.41420 0.00000 1.41420 -2.00000 1.41420 0.00000 -1.41420 2.00000 0.00000 0.00000
|
||||
11 2.00000 -1.84770 1.41420 -0.76530 0.00000 0.76530 -1.41420 1.84770 -2.00000 0.00000 0.00000
|
||||
|
26
data/Symmetry/C17
Normal file
26
data/Symmetry/C17
Normal file
|
@ -0,0 +1,26 @@
|
|||
Group C17
|
||||
n 9
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 E1 C17
|
||||
3 E2 C17^2
|
||||
4 E3 C17^3
|
||||
5 E4 C17^4
|
||||
6 E5 C17^5
|
||||
7 E6 C17^6
|
||||
8 E7 C17^7
|
||||
9 E8 C17^8
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 2.00000 1.86490 1.47800 0.89140 0.18450 -0.54730 -1.20520 -1.70040 -1.96590
|
||||
3 2.00000 1.47800 0.18450 -1.20520 -1.96590 -1.70040 -0.54730 0.89140 1.86490
|
||||
4 2.00000 0.89140 -1.20520 -1.96590 -0.54730 1.47800 1.86490 0.18450 -1.70040
|
||||
5 2.00000 0.18450 -1.96590 -0.54730 1.86490 0.89140 -1.70040 -1.20520 1.47800
|
||||
6 2.00000 -0.54730 -1.70040 1.47800 0.89140 -1.96590 0.18450 1.86490 -1.20520
|
||||
7 2.00000 -1.20520 -0.54730 1.86490 -1.70040 0.18450 1.47800 -1.96590 0.89140
|
||||
8 2.00000 -1.70040 0.89140 0.18450 -1.20520 1.86490 -1.96590 1.47800 -0.54730
|
||||
9 2.00000 -1.96590 1.86490 -1.70040 1.47800 -1.20520 0.89140 -0.54730 0.18450
|
||||
|
44
data/Symmetry/C17h
Normal file
44
data/Symmetry/C17h
Normal file
|
@ -0,0 +1,44 @@
|
|||
Group C17h
|
||||
n 18
|
||||
|
||||
Irred Operation
|
||||
1 A' E
|
||||
2 A" C17
|
||||
3 E1' C17^2
|
||||
4 E1" C17^3
|
||||
5 E2' C17^4
|
||||
6 E2" C17^5
|
||||
7 E3' C17^6
|
||||
8 E3" C17^7
|
||||
9 E4' C17^8
|
||||
10 E4" sh
|
||||
11 E5' S17
|
||||
12 E5" S17^3
|
||||
13 E6' S17^5
|
||||
14 E6" S17^7
|
||||
15 E7' S17^9
|
||||
16 E7" S17^11
|
||||
17 E8' S17^13
|
||||
18 E8" S17^15
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.86494 1.47802 0.89148 0.18454 -0.54733 -1.20527 -1.70043 -1.96595 2.00000 1.86494 0.89148 -0.54733 -1.70043 -1.96595 -1.20527 0.18454 1.47802
|
||||
4 2.00000 1.86494 1.47802 0.89148 0.18454 -0.54733 -1.20527 -1.70043 -1.96595 -2.00000 -1.86494 -0.89148 0.54733 1.70043 1.96595 1.20527 -0.18454 -1.47802
|
||||
5 2.00000 1.47802 0.18454 -1.20527 -1.96595 -1.70043 -0.54733 0.89148 1.86494 2.00000 1.47802 -1.20527 -1.70043 0.89148 1.86494 -0.54733 -1.96595 0.18454
|
||||
6 2.00000 1.47802 0.18454 -1.20527 -1.96595 -1.70043 -0.54733 0.89148 1.86494 -2.00000 -1.47802 1.20527 1.70043 -0.89148 -1.86494 0.54733 1.96595 -0.18454
|
||||
7 2.00000 0.89148 -1.20527 -1.96595 -0.54733 1.47802 1.86494 0.18454 -1.70043 2.00000 0.89148 -1.96595 1.47802 0.18454 -1.70043 1.86494 -0.54733 -1.20527
|
||||
8 2.00000 0.89148 -1.20527 -1.96595 -0.54733 1.47802 1.86494 0.18454 -1.70043 -2.00000 -0.89148 1.96595 -1.47802 -0.18454 1.70043 -1.86494 0.54733 1.20527
|
||||
9 2.00000 0.18454 -1.96595 -0.54733 1.86494 0.89148 -1.70043 -1.20527 1.47802 2.00000 0.18454 -0.54733 0.89148 -1.20527 1.47802 -1.70043 1.86494 -1.96595
|
||||
10 2.00000 0.18454 -1.96595 -0.54733 1.86494 0.89148 -1.70043 -1.20527 1.47802 -2.00000 -0.18454 0.54733 -0.89148 1.20527 -1.47802 1.70043 -1.86494 1.96595
|
||||
11 2.00000 -0.54733 -1.70043 1.47802 0.89148 -1.96595 0.18454 1.86494 -1.20527 2.00000 -0.54733 1.47802 -1.96595 1.86494 -1.20527 0.18454 0.89148 -1.70043
|
||||
12 2.00000 -0.54733 -1.70043 1.47802 0.89148 -1.96595 0.18454 1.86494 -1.20527 -2.00000 0.54733 -1.47802 1.96595 -1.86494 1.20527 -0.18454 -0.89148 1.70043
|
||||
13 2.00000 -1.20527 -0.54733 1.86494 -1.70043 0.18454 1.47802 -1.96595 0.89148 2.00000 -1.20527 1.86494 0.18454 -1.96595 0.89148 1.47802 -1.70043 -0.54733
|
||||
14 2.00000 -1.20527 -0.54733 1.86494 -1.70043 0.18454 1.47802 -1.96595 0.89148 -2.00000 1.20527 -1.86494 -0.18454 1.96595 -0.89148 -1.47802 1.70043 0.54733
|
||||
15 2.00000 -1.70043 0.89148 0.18454 -1.20527 1.86494 -1.96595 1.47802 -0.54733 2.00000 -1.70043 0.18454 1.86494 1.47802 -0.54733 -1.96595 -1.20527 0.89148
|
||||
16 2.00000 -1.70043 0.89148 0.18454 -1.20527 1.86494 -1.96595 1.47802 -0.54733 -2.00000 1.70043 -0.18454 -1.86494 -1.47802 0.54733 1.96595 1.20527 -0.89148
|
||||
17 2.00000 -1.96595 1.86494 -1.70043 1.47802 -1.20527 0.89148 -0.54733 0.18454 2.00000 -1.96595 -1.70043 -1.20527 -0.54733 0.18454 0.89148 1.47802 1.86494
|
||||
18 2.00000 -1.96595 1.86494 -1.70043 1.47802 -1.20527 0.89148 -0.54733 0.18454 -2.00000 1.96595 1.70043 1.20527 0.54733 -0.18454 -0.89148 -1.47802 -1.86494
|
||||
|
28
data/Symmetry/C17v
Normal file
28
data/Symmetry/C17v
Normal file
|
@ -0,0 +1,28 @@
|
|||
Group C17v
|
||||
n 10
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C17
|
||||
3 E1 C17^2
|
||||
4 E2 C17^3
|
||||
5 E3 C17^4
|
||||
6 E4 C17^5
|
||||
7 E5 C17^6
|
||||
8 E6 C17^7
|
||||
9 E7 C17^8
|
||||
10 E8 sv
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.86490 1.47800 0.89140 0.18450 -0.54730 -1.20520 -1.70040 -1.96590 0.00000
|
||||
4 2.00000 1.47800 0.18450 -1.20520 -1.96590 -1.70040 -0.54730 0.89140 1.86490 0.00000
|
||||
5 2.00000 0.89140 -1.20520 -1.96590 -0.54730 1.47800 1.86490 0.18450 -1.70040 0.00000
|
||||
6 2.00000 0.18450 -1.96590 -0.54730 1.86490 0.89140 -1.70040 -1.20520 1.47800 0.00000
|
||||
7 2.00000 -0.54730 -1.70040 1.47800 0.89140 -1.96590 0.18450 1.86490 -1.20520 0.00000
|
||||
8 2.00000 -1.20520 -0.54730 1.86490 -1.70040 0.18450 1.47800 -1.96590 0.89140 0.00000
|
||||
9 2.00000 -1.70040 0.89140 0.18450 -1.20520 1.86490 -1.96590 1.47800 -0.54730 0.00000
|
||||
10 2.00000 -1.96590 1.86490 -1.70040 1.47800 -1.20520 0.89140 -0.54730 0.18450 0.00000
|
||||
|
28
data/Symmetry/C18
Normal file
28
data/Symmetry/C18
Normal file
|
@ -0,0 +1,28 @@
|
|||
Group C18
|
||||
n 10
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 B C18
|
||||
3 E1 C9
|
||||
4 E2 C6
|
||||
5 E3 C9^2
|
||||
6 E4 C18^5
|
||||
7 E5 C3
|
||||
8 E6 C18^7
|
||||
9 E7 C9^4
|
||||
10 E8 C2
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.87930 1.53200 1.00000 0.34730 -0.34730 -1.00000 -1.53200 -1.87930 -2.00000
|
||||
4 2.00000 1.53200 0.34730 -1.00000 -1.87930 -1.87930 -1.00000 0.34730 1.53200 2.00000
|
||||
5 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000
|
||||
6 2.00000 0.34730 -1.87930 -1.00000 1.53200 1.53200 -1.00000 -1.87930 0.34730 2.00000
|
||||
7 2.00000 -0.34730 -1.87930 1.00000 1.53200 -1.53200 -1.00000 1.87930 0.34730 -2.00000
|
||||
8 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000
|
||||
9 2.00000 -1.53200 0.34730 1.00000 -1.87930 1.87930 -1.00000 -0.34730 1.53200 -2.00000
|
||||
10 2.00000 -1.87930 1.53200 -1.00000 0.34730 0.34730 -1.00000 1.53200 -1.87930 2.00000
|
||||
|
48
data/Symmetry/C18h
Normal file
48
data/Symmetry/C18h
Normal file
|
@ -0,0 +1,48 @@
|
|||
Group C18h
|
||||
n 20
|
||||
|
||||
Irred Operation
|
||||
1 Ag E
|
||||
2 Bg C18
|
||||
3 E1g C9
|
||||
4 E2g C6
|
||||
5 E3g C9^2
|
||||
6 E4g C18^5
|
||||
7 E5g C3
|
||||
8 E6g C18^7
|
||||
9 E7g C9^4
|
||||
10 E8g C2
|
||||
11 Au i
|
||||
12 Bu S18
|
||||
13 E1u S9
|
||||
14 E2u S6
|
||||
15 E3u S9^2
|
||||
16 E4u S18^5
|
||||
17 E5u S3
|
||||
18 E6u S18^7
|
||||
19 E7u S9^4
|
||||
20 E8u sh
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.87930 1.53200 1.00000 0.34730 -0.34730 -1.00000 -1.53200 -1.87930 -2.00000 2.00000 -1.87930 -1.53200 -1.00000 -0.34730 0.34730 1.00000 1.53200 1.87930 -2.00000
|
||||
4 2.00000 1.53200 0.34730 -1.00000 -1.87930 -1.87930 -1.00000 0.34730 1.53200 2.00000 2.00000 1.53200 0.34730 -1.00000 -1.87930 -1.87930 -1.00000 0.34730 1.53200 2.00000
|
||||
5 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 -2.00000
|
||||
6 2.00000 0.34730 -1.87930 -1.00000 1.53200 1.53200 -1.00000 -1.87930 0.34730 2.00000 2.00000 0.34730 -1.87930 -1.00000 1.53200 1.53200 -1.00000 -1.87930 0.34730 2.00000
|
||||
7 2.00000 -0.34730 -1.87930 1.00000 1.53200 -1.53200 -1.00000 1.87930 0.34730 -2.00000 2.00000 0.34730 1.87930 -1.00000 -1.53200 1.53200 1.00000 -1.87930 -0.34730 -2.00000
|
||||
8 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000
|
||||
9 2.00000 -1.53200 0.34730 1.00000 -1.87930 1.87930 -1.00000 -0.34730 1.53200 -2.00000 2.00000 1.53200 -0.34730 -1.00000 1.87930 -1.87930 1.00000 0.34730 -1.53200 -2.00000
|
||||
10 2.00000 -1.87930 1.53200 -1.00000 0.34730 0.34730 -1.00000 1.53200 -1.87930 2.00000 2.00000 -1.87930 1.53200 -1.00000 0.34730 0.34730 -1.00000 1.53200 -1.87930 2.00000
|
||||
11 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
12 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000
|
||||
13 2.00000 1.87930 1.53200 1.00000 0.34730 -0.34730 -1.00000 -1.53200 -1.87930 -2.00000 -2.00000 1.87930 1.53200 1.00000 0.34730 -0.34730 -1.00000 -1.53200 -1.87930 2.00000
|
||||
14 2.00000 1.53200 0.34730 -1.00000 -1.87930 -1.87930 -1.00000 0.34730 1.53200 2.00000 -2.00000 -1.53200 -0.34730 1.00000 1.87930 1.87930 1.00000 -0.34730 -1.53200 -2.00000
|
||||
15 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 2.00000
|
||||
16 2.00000 0.34730 -1.87930 -1.00000 1.53200 1.53200 -1.00000 -1.87930 0.34730 2.00000 -2.00000 -0.34730 1.87930 1.00000 -1.53200 -1.53200 1.00000 1.87930 -0.34730 -2.00000
|
||||
17 2.00000 -0.34730 -1.87930 1.00000 1.53200 -1.53200 -1.00000 1.87930 0.34730 -2.00000 -2.00000 -0.34730 -1.87930 1.00000 1.53200 -1.53200 -1.00000 1.87930 0.34730 2.00000
|
||||
18 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000
|
||||
19 2.00000 -1.53200 0.34730 1.00000 -1.87930 1.87930 -1.00000 -0.34730 1.53200 -2.00000 -2.00000 -1.53200 0.34730 1.00000 -1.87930 1.87930 -1.00000 -0.34730 1.53200 2.00000
|
||||
20 2.00000 -1.87930 1.53200 -1.00000 0.34730 0.34730 -1.00000 1.53200 -1.87930 2.00000 -2.00000 1.87930 -1.53200 1.00000 -0.34730 -0.34730 1.00000 -1.53200 1.87930 -2.00000
|
||||
|
32
data/Symmetry/C18v
Normal file
32
data/Symmetry/C18v
Normal file
|
@ -0,0 +1,32 @@
|
|||
Group C18v
|
||||
n 12
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C18
|
||||
3 B1 C9
|
||||
4 B2 C6
|
||||
5 E1 C9^2
|
||||
6 E2 C18^5
|
||||
7 E3 C3
|
||||
8 E4 C18^7
|
||||
9 E5 C9^4
|
||||
10 E6 C2
|
||||
11 E7 sv
|
||||
12 E8 sd
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
4 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000 1.00000
|
||||
5 2.00000 1.87930 1.53200 1.00000 0.34730 -0.34730 -1.00000 -1.53200 -1.87930 -2.00000 0.00000 0.00000
|
||||
6 2.00000 1.53200 0.34730 -1.00000 -1.87930 -1.87930 -1.00000 0.34730 1.53200 2.00000 0.00000 0.00000
|
||||
7 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 0.00000 0.00000
|
||||
8 2.00000 0.34730 -1.87930 -1.00000 1.53200 1.53200 -1.00000 -1.87930 0.34730 2.00000 0.00000 0.00000
|
||||
9 2.00000 -0.34730 -1.87930 1.00000 1.53200 -1.53200 -1.00000 1.87930 0.34730 -2.00000 0.00000 0.00000
|
||||
10 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 0.00000 0.00000
|
||||
11 2.00000 -1.53200 0.34730 1.00000 -1.87930 1.87930 -1.00000 -0.34730 1.53200 -2.00000 0.00000 0.00000
|
||||
12 2.00000 -1.87930 1.53200 -1.00000 0.34730 0.34730 -1.00000 1.53200 -1.87930 2.00000 0.00000 0.00000
|
||||
|
28
data/Symmetry/C19
Normal file
28
data/Symmetry/C19
Normal file
|
@ -0,0 +1,28 @@
|
|||
Group C19
|
||||
n 10
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 E1 C19
|
||||
3 E2 C19^2
|
||||
4 E3 C19^3
|
||||
5 E4 C19^4
|
||||
6 E5 C19^5
|
||||
7 E6 C19^6
|
||||
8 E7 C19^7
|
||||
9 E8 C19^8
|
||||
10 E9 C19^9
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 2.00000 1.89160 1.57820 1.09390 0.49090 -0.16510 -0.80330 -1.35450 -1.75890 -1.97270
|
||||
3 2.00000 1.57820 0.49090 -0.80330 -1.75890 -1.97270 -1.35450 -0.16510 1.09390 1.89160
|
||||
4 2.00000 1.09390 -0.80330 -1.97270 -1.35450 0.49090 1.89160 1.57820 -0.16510 -1.75890
|
||||
5 2.00000 0.49090 -1.75890 -1.35450 1.09390 1.89160 -0.16510 -1.97270 -0.80330 1.57820
|
||||
6 2.00000 -0.16510 -1.97270 0.49090 1.89160 -0.80330 -1.75890 1.09390 1.57820 -1.35450
|
||||
7 2.00000 -0.80330 -1.35450 1.89160 -0.16510 -1.75890 1.57820 0.49090 -1.97270 1.09390
|
||||
8 2.00000 -1.35450 -0.16510 1.57820 -1.97270 1.09390 0.49090 -1.75890 1.89160 -0.80330
|
||||
9 2.00000 -1.75890 1.09390 -0.16510 -0.80330 1.57820 -1.97270 1.89160 -1.35450 0.49090
|
||||
10 2.00000 -1.97270 1.89160 -1.75890 1.57820 -1.35450 1.09390 -0.80330 0.49090 -0.16510
|
||||
|
48
data/Symmetry/C19h
Normal file
48
data/Symmetry/C19h
Normal file
|
@ -0,0 +1,48 @@
|
|||
Group C19h
|
||||
n 20
|
||||
|
||||
Irred Operation
|
||||
1 A' E
|
||||
2 A" C19
|
||||
3 E1' C19^2
|
||||
4 E1" C19^3
|
||||
5 E2' C19^4
|
||||
6 E2" C19^5
|
||||
7 E3' C19^6
|
||||
8 E3" C19^7
|
||||
9 E4' C19^8
|
||||
10 E4" C19^9
|
||||
11 E5' sh
|
||||
12 E5" S19
|
||||
13 E6' S19^3
|
||||
14 E6" S19^5
|
||||
15 E7' S19^7
|
||||
16 E7" S19^9
|
||||
17 E8' S19^11
|
||||
18 E8" S19^13
|
||||
19 E9' S19^15
|
||||
20 E9" S19^17
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.89163 1.57828 1.09390 0.49097 -0.16516 -0.80339 -1.35456 -1.75895 -1.97272 2.00000 1.89163 1.09390 -0.16516 -1.35456 -1.97272 -1.75895 -0.80339 0.49097 1.57828
|
||||
4 2.00000 1.89163 1.57828 1.09390 0.49097 -0.16516 -0.80339 -1.35456 -1.75895 -1.97272 -2.00000 -1.89163 -1.09390 0.16516 1.35456 1.97272 1.75895 0.80339 -0.49097 -1.57828
|
||||
5 2.00000 1.57828 0.49097 -0.80339 -1.75895 -1.97272 -1.35456 -0.16516 1.09390 1.89163 2.00000 1.57828 -0.80339 -1.97272 -0.16516 1.89163 1.09390 -1.35456 -1.75895 0.49097
|
||||
6 2.00000 1.57828 0.49097 -0.80339 -1.75895 -1.97272 -1.35456 -0.16516 1.09390 1.89163 -2.00000 -1.57828 0.80339 1.97272 0.16516 -1.89163 -1.09390 1.35456 1.75895 -0.49097
|
||||
7 2.00000 1.09390 -0.80339 -1.97272 -1.35456 0.49097 1.89163 1.57828 -0.16516 -1.75895 2.00000 1.09390 -1.97272 0.49097 1.57828 -1.75895 -0.16516 1.89163 -1.35456 -0.80339
|
||||
8 2.00000 1.09390 -0.80339 -1.97272 -1.35456 0.49097 1.89163 1.57828 -0.16516 -1.75895 -2.00000 -1.09390 1.97272 -0.49097 -1.57828 1.75895 0.16516 -1.89163 1.35456 0.80339
|
||||
9 2.00000 0.49097 -1.75895 -1.35456 1.09390 1.89163 -0.16516 -1.97272 -0.80339 1.57828 2.00000 0.49097 -1.35456 1.89163 -1.97272 1.57828 -0.80339 -0.16516 1.09390 -1.75895
|
||||
10 2.00000 0.49097 -1.75895 -1.35456 1.09390 1.89163 -0.16516 -1.97272 -0.80339 1.57828 -2.00000 -0.49097 1.35456 -1.89163 1.97272 -1.57828 0.80339 0.16516 -1.09390 1.75895
|
||||
11 2.00000 -0.16516 -1.97272 0.49097 1.89163 -0.80339 -1.75895 1.09390 1.57828 -1.35456 2.00000 -0.16516 0.49097 -0.80339 1.09390 -1.35456 1.57828 -1.75895 1.89163 -1.97272
|
||||
12 2.00000 -0.16516 -1.97272 0.49097 1.89163 -0.80339 -1.75895 1.09390 1.57828 -1.35456 -2.00000 0.16516 -0.49097 0.80339 -1.09390 1.35456 -1.57828 1.75895 -1.89163 1.97272
|
||||
13 2.00000 -0.80339 -1.35456 1.89163 -0.16516 -1.75895 1.57828 0.49097 -1.97272 1.09390 2.00000 -0.80339 1.89163 -1.75895 0.49097 1.09390 -1.97272 1.57828 -0.16516 -1.35456
|
||||
14 2.00000 -0.80339 -1.35456 1.89163 -0.16516 -1.75895 1.57828 0.49097 -1.97272 1.09390 -2.00000 0.80339 -1.89163 1.75895 -0.49097 -1.09390 1.97272 -1.57828 0.16516 1.35456
|
||||
15 2.00000 -1.35456 -0.16516 1.57828 -1.97272 1.09390 0.49097 -1.75895 1.89163 -0.80339 2.00000 -1.35456 1.57828 1.09390 -1.75895 -0.80339 1.89163 0.49097 -1.97272 -0.16516
|
||||
16 2.00000 -1.35456 -0.16516 1.57828 -1.97272 1.09390 0.49097 -1.75895 1.89163 -0.80339 -2.00000 1.35456 -1.57828 -1.09390 1.75895 0.80339 -1.89163 -0.49097 1.97272 0.16516
|
||||
17 2.00000 -1.75895 1.09390 -0.16516 -0.80339 1.57828 -1.97272 1.89163 -1.35456 0.49097 2.00000 -1.75895 -0.16516 1.57828 1.89163 0.49097 -1.35456 -1.97272 -0.80339 1.09390
|
||||
18 2.00000 -1.75895 1.09390 -0.16516 -0.80339 1.57828 -1.97272 1.89163 -1.35456 0.49097 -2.00000 1.75895 0.16516 -1.57828 -1.89163 -0.49097 1.35456 1.97272 0.80339 -1.09390
|
||||
19 2.00000 -1.97272 1.89163 -1.75895 1.57828 -1.35456 1.09390 -0.80339 0.49097 -0.16516 2.00000 -1.97272 -1.75895 -1.35456 -0.80339 -0.16516 0.49097 1.09390 1.57828 1.89163
|
||||
20 2.00000 -1.97272 1.89163 -1.75895 1.57828 -1.35456 1.09390 -0.80339 0.49097 -0.16516 -2.00000 1.97272 1.75895 1.35456 0.80339 0.16516 -0.49097 -1.09390 -1.57828 -1.89163
|
||||
|
30
data/Symmetry/C19v
Normal file
30
data/Symmetry/C19v
Normal file
|
@ -0,0 +1,30 @@
|
|||
Group C19v
|
||||
n 11
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C19
|
||||
3 E1 C19^2
|
||||
4 E2 C19^3
|
||||
5 E3 C19^4
|
||||
6 E4 C19^5
|
||||
7 E5 C19^6
|
||||
8 E6 C19^7
|
||||
9 E7 C19^8
|
||||
10 E8 C19^9
|
||||
11 E9 sv
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.89160 1.57820 1.09390 0.49090 -0.16510 -0.80330 -1.35450 -1.75890 -1.97270 0.00000
|
||||
4 2.00000 1.57820 0.49090 -0.80330 -1.75890 -1.97270 -1.35450 -0.16510 1.09390 1.89160 0.00000
|
||||
5 2.00000 1.09390 -0.80330 -1.97270 -1.35450 0.49090 1.89160 1.57820 -0.16510 -1.75890 0.00000
|
||||
6 2.00000 0.49090 -1.75890 -1.35450 1.09390 1.89160 -0.16510 -1.97270 -0.80330 1.57820 0.00000
|
||||
7 2.00000 -0.16510 -1.97270 0.49090 1.89160 -0.80330 -1.75890 1.09390 1.57820 -1.35450 0.00000
|
||||
8 2.00000 -0.80330 -1.35450 1.89160 -0.16510 -1.75890 1.57820 0.49090 -1.97270 1.09390 0.00000
|
||||
9 2.00000 -1.35450 -0.16510 1.57820 -1.97270 1.09390 0.49090 -1.75890 1.89160 -0.80330 0.00000
|
||||
10 2.00000 -1.75890 1.09390 -0.16510 -0.80330 1.57820 -1.97270 1.89160 -1.35450 0.49090 0.00000
|
||||
11 2.00000 -1.97270 1.89160 -1.75890 1.57820 -1.35450 1.09390 -0.80330 0.49090 -0.16510 0.00000
|
||||
|
12
data/Symmetry/C1h
Normal file
12
data/Symmetry/C1h
Normal file
|
@ -0,0 +1,12 @@
|
|||
Group C1h
|
||||
n 2
|
||||
|
||||
Irred Operation
|
||||
1 A' E
|
||||
2 A" sh
|
||||
|
||||
Table
|
||||
1 2
|
||||
1 1.00000 1.00000
|
||||
2 1.00000 -1.00000
|
||||
|
12
data/Symmetry/C1v
Normal file
12
data/Symmetry/C1v
Normal file
|
@ -0,0 +1,12 @@
|
|||
Group C1v
|
||||
n 2
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 sv
|
||||
|
||||
Table
|
||||
1 2
|
||||
1 1.00000 1.00000
|
||||
2 1.00000 -1.00000
|
||||
|
12
data/Symmetry/C2
Normal file
12
data/Symmetry/C2
Normal file
|
@ -0,0 +1,12 @@
|
|||
Group C2
|
||||
n 2
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 B C2
|
||||
|
||||
Table
|
||||
1 2
|
||||
1 1.00000 1.00000
|
||||
2 1.00000 -1.00000
|
||||
|
30
data/Symmetry/C20
Normal file
30
data/Symmetry/C20
Normal file
|
@ -0,0 +1,30 @@
|
|||
Group C20
|
||||
n 11
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 B C20
|
||||
3 E1 C10
|
||||
4 E2 C20^3
|
||||
5 E3 C5
|
||||
6 E4 C4
|
||||
7 E5 C10^3
|
||||
8 E6 C20^7
|
||||
9 E7 C5^2
|
||||
10 E8 C20^9
|
||||
11 E9 C2
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
3 2.00000 1.90210 1.61800 1.17550 0.61800 0.00000 -0.61800 -1.17550 -1.61800 -1.90210 -2.00000
|
||||
4 2.00000 1.61800 0.61800 -0.61800 -1.61800 -2.00000 -1.61800 -0.61800 0.61800 1.61800 2.00000
|
||||
5 2.00000 1.17550 -0.61800 -1.90210 -1.61800 0.00000 1.61800 1.90210 0.61800 -1.17550 -2.00000
|
||||
6 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000
|
||||
7 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000
|
||||
8 2.00000 -0.61800 -1.61800 1.61800 0.61800 -2.00000 0.61800 1.61800 -1.61800 -0.61800 2.00000
|
||||
9 2.00000 -1.17550 -0.61800 1.90210 -1.61800 0.00000 1.61800 -1.90210 0.61800 1.17550 -2.00000
|
||||
10 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000
|
||||
11 2.00000 -1.90210 1.61800 -1.17550 0.61800 0.00000 -0.61800 1.17550 -1.61800 1.90210 -2.00000
|
||||
|
52
data/Symmetry/C20h
Normal file
52
data/Symmetry/C20h
Normal file
|
@ -0,0 +1,52 @@
|
|||
Group C20h
|
||||
n 22
|
||||
|
||||
Irred Operation
|
||||
1 Ag E
|
||||
2 Bg C20
|
||||
3 E1g C10
|
||||
4 E2g C20^3
|
||||
5 E3g C5
|
||||
6 E4g C4
|
||||
7 E5g C10^3
|
||||
8 E6g C20^7
|
||||
9 E7g C5^2
|
||||
10 E8g C20^9
|
||||
11 E9g C2
|
||||
12 Au i
|
||||
13 Bu S20
|
||||
14 E1u S10
|
||||
15 E2u S20^3
|
||||
16 E3u S5
|
||||
17 E4u S4
|
||||
18 E5u S10^3
|
||||
19 E6u S20^7
|
||||
20 E7u S5^2
|
||||
21 E8u S20^9
|
||||
22 E9u sh
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
3 2.00000 1.90210 1.61800 1.17550 0.61800 0.00000 -0.61800 -1.17550 -1.61800 -1.90210 -2.00000 2.00000 -1.90210 -1.61800 -1.17550 -0.61800 0.00000 0.61800 1.17550 1.61800 1.90210 -2.00000
|
||||
4 2.00000 1.61800 0.61800 -0.61800 -1.61800 -2.00000 -1.61800 -0.61800 0.61800 1.61800 2.00000 2.00000 1.61800 0.61800 -0.61800 -1.61800 -2.00000 -1.61800 -0.61800 0.61800 1.61800 2.00000
|
||||
5 2.00000 1.17550 -0.61800 -1.90210 -1.61800 0.00000 1.61800 1.90210 0.61800 -1.17550 -2.00000 2.00000 -1.17550 0.61800 1.90210 1.61800 0.00000 -1.61800 -1.90210 -0.61800 1.17550 -2.00000
|
||||
6 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000
|
||||
7 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 -2.00000
|
||||
8 2.00000 -0.61800 -1.61800 1.61800 0.61800 -2.00000 0.61800 1.61800 -1.61800 -0.61800 2.00000 2.00000 -0.61800 -1.61800 1.61800 0.61800 -2.00000 0.61800 1.61800 -1.61800 -0.61800 2.00000
|
||||
9 2.00000 -1.17550 -0.61800 1.90210 -1.61800 0.00000 1.61800 -1.90210 0.61800 1.17550 -2.00000 2.00000 1.17550 0.61800 -1.90210 1.61800 0.00000 -1.61800 1.90210 -0.61800 -1.17550 -2.00000
|
||||
10 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000
|
||||
11 2.00000 -1.90210 1.61800 -1.17550 0.61800 0.00000 -0.61800 1.17550 -1.61800 1.90210 -2.00000 2.00000 1.90210 -1.61800 1.17550 -0.61800 0.00000 0.61800 -1.17550 1.61800 -1.90210 -2.00000
|
||||
12 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
13 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
14 2.00000 1.90210 1.61800 1.17550 0.61800 0.00000 -0.61800 -1.17550 -1.61800 -1.90210 -2.00000 -2.00000 1.90210 1.61800 1.17550 0.61800 0.00000 -0.61800 -1.17550 -1.61800 -1.90210 2.00000
|
||||
15 2.00000 1.61800 0.61800 -0.61800 -1.61800 -2.00000 -1.61800 -0.61800 0.61800 1.61800 2.00000 -2.00000 -1.61800 -0.61800 0.61800 1.61800 2.00000 1.61800 0.61800 -0.61800 -1.61800 -2.00000
|
||||
16 2.00000 1.17550 -0.61800 -1.90210 -1.61800 0.00000 1.61800 1.90210 0.61800 -1.17550 -2.00000 -2.00000 1.17550 -0.61800 -1.90210 -1.61800 0.00000 1.61800 1.90210 0.61800 -1.17550 2.00000
|
||||
17 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000 -2.00000 -0.61800 1.61800 1.61800 -0.61800 -2.00000 -0.61800 1.61800 1.61800 -0.61800 -2.00000
|
||||
18 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 -2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 2.00000
|
||||
19 2.00000 -0.61800 -1.61800 1.61800 0.61800 -2.00000 0.61800 1.61800 -1.61800 -0.61800 2.00000 -2.00000 0.61800 1.61800 -1.61800 -0.61800 2.00000 -0.61800 -1.61800 1.61800 0.61800 -2.00000
|
||||
20 2.00000 -1.17550 -0.61800 1.90210 -1.61800 0.00000 1.61800 -1.90210 0.61800 1.17550 -2.00000 -2.00000 -1.17550 -0.61800 1.90210 -1.61800 0.00000 1.61800 -1.90210 0.61800 1.17550 2.00000
|
||||
21 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000 -2.00000 1.61800 -0.61800 -0.61800 1.61800 -2.00000 1.61800 -0.61800 -0.61800 1.61800 -2.00000
|
||||
22 2.00000 -1.90210 1.61800 -1.17550 0.61800 0.00000 -0.61800 1.17550 -1.61800 1.90210 -2.00000 -2.00000 -1.90210 1.61800 -1.17550 0.61800 0.00000 -0.61800 1.17550 -1.61800 1.90210 2.00000
|
||||
|
34
data/Symmetry/C20v
Normal file
34
data/Symmetry/C20v
Normal file
|
@ -0,0 +1,34 @@
|
|||
Group C20v
|
||||
n 13
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C20
|
||||
3 B1 C10
|
||||
4 B2 C20^3
|
||||
5 E1 C5
|
||||
6 E2 C4
|
||||
7 E3 C10^3
|
||||
8 E4 C20^7
|
||||
9 E5 C5^2
|
||||
10 E6 C20^9
|
||||
11 E7 C2
|
||||
12 E8 sv
|
||||
13 E9 sd
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000
|
||||
4 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
5 2.00000 1.90210 1.61800 1.17550 0.61800 0.00000 -0.61800 -1.17550 -1.61800 -1.90210 -2.00000 0.00000 0.00000
|
||||
6 2.00000 1.61800 0.61800 -0.61800 -1.61800 -2.00000 -1.61800 -0.61800 0.61800 1.61800 2.00000 0.00000 0.00000
|
||||
7 2.00000 1.17550 -0.61800 -1.90210 -1.61800 0.00000 1.61800 1.90210 0.61800 -1.17550 -2.00000 0.00000 0.00000
|
||||
8 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000 0.61800 -1.61800 -1.61800 0.61800 2.00000 0.00000 0.00000
|
||||
9 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 0.00000
|
||||
10 2.00000 -0.61800 -1.61800 1.61800 0.61800 -2.00000 0.61800 1.61800 -1.61800 -0.61800 2.00000 0.00000 0.00000
|
||||
11 2.00000 -1.17550 -0.61800 1.90210 -1.61800 0.00000 1.61800 -1.90210 0.61800 1.17550 -2.00000 0.00000 0.00000
|
||||
12 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000 -1.61800 0.61800 0.61800 -1.61800 2.00000 0.00000 0.00000
|
||||
13 2.00000 -1.90210 1.61800 -1.17550 0.61800 0.00000 -0.61800 1.17550 -1.61800 1.90210 -2.00000 0.00000 0.00000
|
||||
|
30
data/Symmetry/C21
Normal file
30
data/Symmetry/C21
Normal file
|
@ -0,0 +1,30 @@
|
|||
Group C21
|
||||
n 11
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 E1 C21
|
||||
3 E2 C21^2
|
||||
4 E3 C7
|
||||
5 E4 C21^4
|
||||
6 E5 C21^5
|
||||
7 E6 C7^2
|
||||
8 E7 C3
|
||||
9 E8 C21^8
|
||||
10 E9 C7^3
|
||||
11 E10 C21^10
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 2.00000 1.91115 1.65248 1.24698 0.73068 0.14946 -0.44504 -1.00000 -1.46610 -1.80194 -1.97766
|
||||
3 2.00000 1.65248 0.73068 -0.44504 -1.46610 -1.97766 -1.80194 -1.00000 0.14946 1.24698 1.91115
|
||||
4 2.00000 1.24698 -0.44504 -1.80194 -1.80194 -0.44504 1.24698 2.00000 1.24698 -0.44504 -1.80194
|
||||
5 2.00000 0.73068 -1.46610 -1.80194 0.14946 1.91115 1.24698 -1.00000 -1.97766 -0.44504 1.65248
|
||||
6 2.00000 0.14946 -1.97766 -0.44504 1.91115 0.73068 -1.80194 -1.00000 1.65248 1.24698 -1.46610
|
||||
7 2.00000 -0.44504 -1.80194 1.24698 1.24698 -1.80194 -0.44504 2.00000 -0.44504 -1.80194 1.24698
|
||||
8 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000
|
||||
9 2.00000 -1.46610 0.14946 1.24698 -1.97766 1.65248 -0.44504 -1.00000 1.91115 -1.80194 0.73068
|
||||
10 2.00000 -1.80194 1.24698 -0.44504 -0.44504 1.24698 -1.80194 2.00000 -1.80194 1.24698 -0.44504
|
||||
11 2.00000 -1.97766 1.91115 -1.80194 1.65248 -1.46610 1.24698 -1.00000 0.73068 -0.44504 0.14946
|
||||
|
52
data/Symmetry/C21h
Normal file
52
data/Symmetry/C21h
Normal file
|
@ -0,0 +1,52 @@
|
|||
Group C21h
|
||||
n 22
|
||||
|
||||
Irred Operation
|
||||
1 A' E
|
||||
2 A" C21
|
||||
3 E1' C21^2
|
||||
4 E1" C7
|
||||
5 E2' C21^4
|
||||
6 E2" C21^5
|
||||
7 E3' C7^2
|
||||
8 E3" C3
|
||||
9 E4' C21^8
|
||||
10 E4" C7^3
|
||||
11 E5' C21^10
|
||||
12 E5" sh
|
||||
13 E6' S21
|
||||
14 E6" S7
|
||||
15 E7' S21^5
|
||||
16 E7" S3
|
||||
17 E8' S7^3
|
||||
18 E8" S21^11
|
||||
19 E9' S21^13
|
||||
20 E9" S7^5
|
||||
21 E10' S21^17
|
||||
22 E10" S21^19
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.91115 1.65248 1.24698 0.73068 0.14946 -0.44504 -1.00000 -1.46610 -1.80194 -1.97766 2.00000 1.91115 1.24698 0.14946 -1.00000 -1.80194 -1.97766 -1.46610 -0.44504 0.73068 1.65248
|
||||
4 2.00000 1.91115 1.65248 1.24698 0.73068 0.14946 -0.44504 -1.00000 -1.46610 -1.80194 -1.97766 -2.00000 -1.91115 -1.24698 -0.14946 1.00000 1.80194 1.97766 1.46610 0.44504 -0.73068 -1.65248
|
||||
5 2.00000 1.65248 0.73068 -0.44504 -1.46610 -1.97766 -1.80194 -1.00000 0.14946 1.24698 1.91115 2.00000 1.65248 -0.44504 -1.97766 -1.00000 1.24698 1.91115 0.14946 -1.80194 -1.46610 0.73068
|
||||
6 2.00000 1.65248 0.73068 -0.44504 -1.46610 -1.97766 -1.80194 -1.00000 0.14946 1.24698 1.91115 -2.00000 -1.65248 0.44504 1.97766 1.00000 -1.24698 -1.91115 -0.14946 1.80194 1.46610 -0.73068
|
||||
7 2.00000 1.24698 -0.44504 -1.80194 -1.80194 -0.44504 1.24698 2.00000 1.24698 -0.44504 -1.80194 2.00000 1.24698 -1.80194 -0.44504 2.00000 -0.44504 -1.80194 1.24698 1.24698 -1.80194 -0.44504
|
||||
8 2.00000 1.24698 -0.44504 -1.80194 -1.80194 -0.44504 1.24698 2.00000 1.24698 -0.44504 -1.80194 -2.00000 -1.24698 1.80194 0.44504 -2.00000 0.44504 1.80194 -1.24698 -1.24698 1.80194 0.44504
|
||||
9 2.00000 0.73068 -1.46610 -1.80194 0.14946 1.91115 1.24698 -1.00000 -1.97766 -0.44504 1.65248 2.00000 0.73068 -1.80194 1.91115 -1.00000 -0.44504 1.65248 -1.97766 1.24698 0.14946 -1.46610
|
||||
10 2.00000 0.73068 -1.46610 -1.80194 0.14946 1.91115 1.24698 -1.00000 -1.97766 -0.44504 1.65248 -2.00000 -0.73068 1.80194 -1.91115 1.00000 0.44504 -1.65248 1.97766 -1.24698 -0.14946 1.46610
|
||||
11 2.00000 0.14946 -1.97766 -0.44504 1.91115 0.73068 -1.80194 -1.00000 1.65248 1.24698 -1.46610 2.00000 0.14946 -0.44504 0.73068 -1.00000 1.24698 -1.46610 1.65248 -1.80194 1.91115 -1.97766
|
||||
12 2.00000 0.14946 -1.97766 -0.44504 1.91115 0.73068 -1.80194 -1.00000 1.65248 1.24698 -1.46610 -2.00000 -0.14946 0.44504 -0.73068 1.00000 -1.24698 1.46610 -1.65248 1.80194 -1.91115 1.97766
|
||||
13 2.00000 -0.44504 -1.80194 1.24698 1.24698 -1.80194 -0.44504 2.00000 -0.44504 -1.80194 1.24698 2.00000 -0.44504 1.24698 -1.80194 2.00000 -1.80194 1.24698 -0.44504 -0.44504 1.24698 -1.80194
|
||||
14 2.00000 -0.44504 -1.80194 1.24698 1.24698 -1.80194 -0.44504 2.00000 -0.44504 -1.80194 1.24698 -2.00000 0.44504 -1.24698 1.80194 -2.00000 1.80194 -1.24698 0.44504 0.44504 -1.24698 1.80194
|
||||
15 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 2.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000
|
||||
16 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -2.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000
|
||||
17 2.00000 -1.46610 0.14946 1.24698 -1.97766 1.65248 -0.44504 -1.00000 1.91115 -1.80194 0.73068 2.00000 -1.46610 1.24698 1.65248 -1.00000 -1.80194 0.73068 1.91115 -0.44504 -1.97766 0.14946
|
||||
18 2.00000 -1.46610 0.14946 1.24698 -1.97766 1.65248 -0.44504 -1.00000 1.91115 -1.80194 0.73068 -2.00000 1.46610 -1.24698 -1.65248 1.00000 1.80194 -0.73068 -1.91115 0.44504 1.97766 -0.14946
|
||||
19 2.00000 -1.80194 1.24698 -0.44504 -0.44504 1.24698 -1.80194 2.00000 -1.80194 1.24698 -0.44504 2.00000 -1.80194 -0.44504 1.24698 2.00000 1.24698 -0.44504 -1.80194 -1.80194 -0.44504 1.24698
|
||||
20 2.00000 -1.80194 1.24698 -0.44504 -0.44504 1.24698 -1.80194 2.00000 -1.80194 1.24698 -0.44504 -2.00000 1.80194 0.44504 -1.24698 -2.00000 -1.24698 0.44504 1.80194 1.80194 0.44504 -1.24698
|
||||
21 2.00000 -1.97766 1.91115 -1.80194 1.65248 -1.46610 1.24698 -1.00000 0.73068 -0.44504 0.14946 2.00000 -1.97766 -1.80194 -1.46610 -1.00000 -0.44504 0.14946 0.73068 1.24698 1.65248 1.91115
|
||||
22 2.00000 -1.97766 1.91115 -1.80194 1.65248 -1.46610 1.24698 -1.00000 0.73068 -0.44504 0.14946 -2.00000 1.97766 1.80194 1.46610 1.00000 0.44504 -0.14946 -0.73068 -1.24698 -1.65248 -1.91115
|
||||
|
32
data/Symmetry/C21v
Normal file
32
data/Symmetry/C21v
Normal file
|
@ -0,0 +1,32 @@
|
|||
Group C21v
|
||||
n 12
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C21
|
||||
3 E1 C21^2
|
||||
4 E2 C7
|
||||
5 E3 C21^4
|
||||
6 E4 C21^5
|
||||
7 E5 C7^2
|
||||
8 E6 C3
|
||||
9 E7 C21^8
|
||||
10 E8 C7^3
|
||||
11 E9 C21^10
|
||||
12 E10 sv
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.91115 1.65248 1.24698 0.73068 0.14946 -0.44504 -1.00000 -1.46610 -1.80194 -1.97766 0.00000
|
||||
4 2.00000 1.65248 0.73068 -0.44504 -1.46610 -1.97766 -1.80194 -1.00000 0.14946 1.24698 1.91115 0.00000
|
||||
5 2.00000 1.24698 -0.44504 -1.80194 -1.80194 -0.44504 1.24698 2.00000 1.24698 -0.44504 -1.80194 0.00000
|
||||
6 2.00000 0.73068 -1.46610 -1.80194 0.14946 1.91115 1.24698 -1.00000 -1.97766 -0.44504 1.65248 0.00000
|
||||
7 2.00000 0.14946 -1.97766 -0.44504 1.91115 0.73068 -1.80194 -1.00000 1.65248 1.24698 -1.46610 0.00000
|
||||
8 2.00000 -0.44504 -1.80194 1.24698 1.24698 -1.80194 -0.44504 2.00000 -0.44504 -1.80194 1.24698 0.00000
|
||||
9 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 0.00000
|
||||
10 2.00000 -1.46610 0.14946 1.24698 -1.97766 1.65248 -0.44504 -1.00000 1.91115 -1.80194 0.73068 0.00000
|
||||
11 2.00000 -1.80194 1.24698 -0.44504 -0.44504 1.24698 -1.80194 2.00000 -1.80194 1.24698 -0.44504 0.00000
|
||||
12 2.00000 -1.97766 1.91115 -1.80194 1.65248 -1.46610 1.24698 -1.00000 0.73068 -0.44504 0.14946 0.00000
|
||||
|
32
data/Symmetry/C22
Normal file
32
data/Symmetry/C22
Normal file
|
@ -0,0 +1,32 @@
|
|||
Group C22
|
||||
n 12
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 B C22
|
||||
3 E1 C11
|
||||
4 E2 C22^3
|
||||
5 E3 C11^2
|
||||
6 E4 C22^5
|
||||
7 E5 C11^3
|
||||
8 E6 C22^7
|
||||
9 E7 C11^4
|
||||
10 E8 C22^9
|
||||
11 E9 C11^5
|
||||
12 E10 C2
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.91890 1.68250 1.30970 0.83080 0.28460 -0.28460 -0.83080 -1.30970 -1.68250 -1.91890 -2.00000
|
||||
4 2.00000 1.68250 0.83080 -0.28460 -1.30970 -1.91890 -1.91890 -1.30970 -0.28460 0.83080 1.68250 2.00000
|
||||
5 2.00000 1.30970 -0.28460 -1.68250 -1.91890 -0.83080 0.83080 1.91890 1.68250 0.28460 -1.30970 -2.00000
|
||||
6 2.00000 0.83080 -1.30970 -1.91890 -0.28460 1.68250 1.68250 -0.28460 -1.91890 -1.30970 0.83080 2.00000
|
||||
7 2.00000 0.28460 -1.91890 -0.83080 1.68250 1.30970 -1.30970 -1.68250 0.83080 1.91890 -0.28460 -2.00000
|
||||
8 2.00000 -0.28460 -1.91890 0.83080 1.68250 -1.30970 -1.30970 1.68250 0.83080 -1.91890 -0.28460 2.00000
|
||||
9 2.00000 -0.83080 -1.30970 1.91890 -0.28460 -1.68250 1.68250 0.28460 -1.91890 1.30970 0.83080 -2.00000
|
||||
10 2.00000 -1.30970 -0.28460 1.68250 -1.91890 0.83080 0.83080 -1.91890 1.68250 -0.28460 -1.30970 2.00000
|
||||
11 2.00000 -1.68250 0.83080 0.28460 -1.30970 1.91890 -1.91890 1.30970 -0.28460 -0.83080 1.68250 -2.00000
|
||||
12 2.00000 -1.91890 1.68250 -1.30970 0.83080 -0.28460 -0.28460 0.83080 -1.30970 1.68250 -1.91890 2.00000
|
||||
|
56
data/Symmetry/C22h
Normal file
56
data/Symmetry/C22h
Normal file
|
@ -0,0 +1,56 @@
|
|||
Group C22h
|
||||
n 24
|
||||
|
||||
Irred Operation
|
||||
1 Ag E
|
||||
2 Bg C22
|
||||
3 E1g C11
|
||||
4 E2g C22^3
|
||||
5 E3g C11^2
|
||||
6 E4g C22^5
|
||||
7 E5g C11^3
|
||||
8 E6g C22^7
|
||||
9 E7g C11^4
|
||||
10 E8g C22^9
|
||||
11 E9g C11^5
|
||||
12 E10g C2
|
||||
13 Au i
|
||||
14 Bu S22
|
||||
15 E1u S11
|
||||
16 E2u S22^3
|
||||
17 E3u S11^2
|
||||
18 E4u S22^5
|
||||
19 E5u S11^3
|
||||
20 E6u S22^7
|
||||
21 E7u S11^4
|
||||
22 E8u S22^9
|
||||
23 E9u S11^5
|
||||
24 E10u sh
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.91890 1.68250 1.30970 0.83080 0.28460 -0.28460 -0.83080 -1.30970 -1.68250 -1.91890 -2.00000 2.00000 -1.91890 -1.68250 -1.30970 -0.83080 -0.28460 0.28460 0.83080 1.30970 1.68250 1.91890 -2.00000
|
||||
4 2.00000 1.68250 0.83080 -0.28460 -1.30970 -1.91890 -1.91890 -1.30970 -0.28460 0.83080 1.68250 2.00000 2.00000 1.68250 0.83080 -0.28460 -1.30970 -1.91890 -1.91890 -1.30970 -0.28460 0.83080 1.68250 2.00000
|
||||
5 2.00000 1.30970 -0.28460 -1.68250 -1.91890 -0.83080 0.83080 1.91890 1.68250 0.28460 -1.30970 -2.00000 2.00000 -1.30970 0.28460 1.68250 1.91890 0.83080 -0.83080 -1.91890 -1.68250 -0.28460 1.30970 -2.00000
|
||||
6 2.00000 0.83080 -1.30970 -1.91890 -0.28460 1.68250 1.68250 -0.28460 -1.91890 -1.30970 0.83080 2.00000 2.00000 0.83080 -1.30970 -1.91890 -0.28460 1.68250 1.68250 -0.28460 -1.91890 -1.30970 0.83080 2.00000
|
||||
7 2.00000 0.28460 -1.91890 -0.83080 1.68250 1.30970 -1.30970 -1.68250 0.83080 1.91890 -0.28460 -2.00000 2.00000 -0.28460 1.91890 0.83080 -1.68250 -1.30970 1.30970 1.68250 -0.83080 -1.91890 0.28460 -2.00000
|
||||
8 2.00000 -0.28460 -1.91890 0.83080 1.68250 -1.30970 -1.30970 1.68250 0.83080 -1.91890 -0.28460 2.00000 2.00000 -0.28460 -1.91890 0.83080 1.68250 -1.30970 -1.30970 1.68250 0.83080 -1.91890 -0.28460 2.00000
|
||||
9 2.00000 -0.83080 -1.30970 1.91890 -0.28460 -1.68250 1.68250 0.28460 -1.91890 1.30970 0.83080 -2.00000 2.00000 0.83080 1.30970 -1.91890 0.28460 1.68250 -1.68250 -0.28460 1.91890 -1.30970 -0.83080 -2.00000
|
||||
10 2.00000 -1.30970 -0.28460 1.68250 -1.91890 0.83080 0.83080 -1.91890 1.68250 -0.28460 -1.30970 2.00000 2.00000 -1.30970 -0.28460 1.68250 -1.91890 0.83080 0.83080 -1.91890 1.68250 -0.28460 -1.30970 2.00000
|
||||
11 2.00000 -1.68250 0.83080 0.28460 -1.30970 1.91890 -1.91890 1.30970 -0.28460 -0.83080 1.68250 -2.00000 2.00000 1.68250 -0.83080 -0.28460 1.30970 -1.91890 1.91890 -1.30970 0.28460 0.83080 -1.68250 -2.00000
|
||||
12 2.00000 -1.91890 1.68250 -1.30970 0.83080 -0.28460 -0.28460 0.83080 -1.30970 1.68250 -1.91890 2.00000 2.00000 -1.91890 1.68250 -1.30970 0.83080 -0.28460 -0.28460 0.83080 -1.30970 1.68250 -1.91890 2.00000
|
||||
13 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
14 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000
|
||||
15 2.00000 1.91890 1.68250 1.30970 0.83080 0.28460 -0.28460 -0.83080 -1.30970 -1.68250 -1.91890 -2.00000 -2.00000 1.91890 1.68250 1.30970 0.83080 0.28460 -0.28460 -0.83080 -1.30970 -1.68250 -1.91890 2.00000
|
||||
16 2.00000 1.68250 0.83080 -0.28460 -1.30970 -1.91890 -1.91890 -1.30970 -0.28460 0.83080 1.68250 2.00000 -2.00000 -1.68250 -0.83080 0.28460 1.30970 1.91890 1.91890 1.30970 0.28460 -0.83080 -1.68250 -2.00000
|
||||
17 2.00000 1.30970 -0.28460 -1.68250 -1.91890 -0.83080 0.83080 1.91890 1.68250 0.28460 -1.30970 -2.00000 -2.00000 1.30970 -0.28460 -1.68250 -1.91890 -0.83080 0.83080 1.91890 1.68250 0.28460 -1.30970 2.00000
|
||||
18 2.00000 0.83080 -1.30970 -1.91890 -0.28460 1.68250 1.68250 -0.28460 -1.91890 -1.30970 0.83080 2.00000 -2.00000 -0.83080 1.30970 1.91890 0.28460 -1.68250 -1.68250 0.28460 1.91890 1.30970 -0.83080 -2.00000
|
||||
19 2.00000 0.28460 -1.91890 -0.83080 1.68250 1.30970 -1.30970 -1.68250 0.83080 1.91890 -0.28460 -2.00000 -2.00000 0.28460 -1.91890 -0.83080 1.68250 1.30970 -1.30970 -1.68250 0.83080 1.91890 -0.28460 2.00000
|
||||
20 2.00000 -0.28460 -1.91890 0.83080 1.68250 -1.30970 -1.30970 1.68250 0.83080 -1.91890 -0.28460 2.00000 -2.00000 0.28460 1.91890 -0.83080 -1.68250 1.30970 1.30970 -1.68250 -0.83080 1.91890 0.28460 -2.00000
|
||||
21 2.00000 -0.83080 -1.30970 1.91890 -0.28460 -1.68250 1.68250 0.28460 -1.91890 1.30970 0.83080 -2.00000 -2.00000 -0.83080 -1.30970 1.91890 -0.28460 -1.68250 1.68250 0.28460 -1.91890 1.30970 0.83080 2.00000
|
||||
22 2.00000 -1.30970 -0.28460 1.68250 -1.91890 0.83080 0.83080 -1.91890 1.68250 -0.28460 -1.30970 2.00000 -2.00000 1.30970 0.28460 -1.68250 1.91890 -0.83080 -0.83080 1.91890 -1.68250 0.28460 1.30970 -2.00000
|
||||
23 2.00000 -1.68250 0.83080 0.28460 -1.30970 1.91890 -1.91890 1.30970 -0.28460 -0.83080 1.68250 -2.00000 -2.00000 -1.68250 0.83080 0.28460 -1.30970 1.91890 -1.91890 1.30970 -0.28460 -0.83080 1.68250 2.00000
|
||||
24 2.00000 -1.91890 1.68250 -1.30970 0.83080 -0.28460 -0.28460 0.83080 -1.30970 1.68250 -1.91890 2.00000 -2.00000 1.91890 -1.68250 1.30970 -0.83080 0.28460 0.28460 -0.83080 1.30970 -1.68250 1.91890 -2.00000
|
||||
|
36
data/Symmetry/C22v
Normal file
36
data/Symmetry/C22v
Normal file
|
@ -0,0 +1,36 @@
|
|||
Group C22v
|
||||
n 14
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C22
|
||||
3 B1 C11
|
||||
4 B2 C22^3
|
||||
5 E1 C11^2
|
||||
6 E2 C22^5
|
||||
7 E3 C11^3
|
||||
8 E4 C22^7
|
||||
9 E5 C11^4
|
||||
10 E6 C22^9
|
||||
11 E7 C11^5
|
||||
12 E8 C2
|
||||
13 E9 sv
|
||||
14 E10 sd
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
4 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000 1.00000
|
||||
5 2.00000 1.91890 1.68250 1.30970 0.83080 0.28460 -0.28460 -0.83080 -1.30970 -1.68250 -1.91890 -2.00000 0.00000 0.00000
|
||||
6 2.00000 1.68250 0.83080 -0.28460 -1.30970 -1.91890 -1.91890 -1.30970 -0.28460 0.83080 1.68250 2.00000 0.00000 0.00000
|
||||
7 2.00000 1.30970 -0.28460 -1.68250 -1.91890 -0.83080 0.83080 1.91890 1.68250 0.28460 -1.30970 -2.00000 0.00000 0.00000
|
||||
8 2.00000 0.83080 -1.30970 -1.91890 -0.28460 1.68250 1.68250 -0.28460 -1.91890 -1.30970 0.83080 2.00000 0.00000 0.00000
|
||||
9 2.00000 0.28460 -1.91890 -0.83080 1.68250 1.30970 -1.30970 -1.68250 0.83080 1.91890 -0.28460 -2.00000 0.00000 0.00000
|
||||
10 2.00000 -0.28460 -1.91890 0.83080 1.68250 -1.30970 -1.30970 1.68250 0.83080 -1.91890 -0.28460 2.00000 0.00000 0.00000
|
||||
11 2.00000 -0.83080 -1.30970 1.91890 -0.28460 -1.68250 1.68250 0.28460 -1.91890 1.30970 0.83080 -2.00000 0.00000 0.00000
|
||||
12 2.00000 -1.30970 -0.28460 1.68250 -1.91890 0.83080 0.83080 -1.91890 1.68250 -0.28460 -1.30970 2.00000 0.00000 0.00000
|
||||
13 2.00000 -1.68250 0.83080 0.28460 -1.30970 1.91890 -1.91890 1.30970 -0.28460 -0.83080 1.68250 -2.00000 0.00000 0.00000
|
||||
14 2.00000 -1.91890 1.68250 -1.30970 0.83080 -0.28460 -0.28460 0.83080 -1.30970 1.68250 -1.91890 2.00000 0.00000 0.00000
|
||||
|
32
data/Symmetry/C23
Normal file
32
data/Symmetry/C23
Normal file
|
@ -0,0 +1,32 @@
|
|||
Group C23
|
||||
n 12
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 E1 C23
|
||||
3 E2 C23^2
|
||||
4 E3 C23^3
|
||||
5 E4 C23^4
|
||||
6 E5 C23^5
|
||||
7 E6 C23^6
|
||||
8 E7 C23^7
|
||||
9 E8 C23^8
|
||||
10 E9 C23^9
|
||||
11 E10 C23^10
|
||||
12 E11 C23^11
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 2.00000 1.92583 1.70884 1.36511 0.92013 0.40691 -0.13648 -0.66976 -1.15336 -1.55142 -1.83442 -1.98137
|
||||
3 2.00000 1.70884 0.92013 -0.13648 -1.15336 -1.83442 -1.98137 -1.55142 -0.66976 0.40691 1.36511 1.92583
|
||||
4 2.00000 1.36511 -0.13648 -1.55142 -1.98137 -1.15336 0.40691 1.70884 1.92583 0.92013 -0.66976 -1.83442
|
||||
5 2.00000 0.92013 -1.15336 -1.98137 -0.66976 1.36511 1.92583 0.40691 -1.55142 -1.83442 -0.13648 1.70884
|
||||
6 2.00000 0.40691 -1.83442 -1.15336 1.36511 1.70884 -0.66976 -1.98137 -0.13648 1.92583 0.92013 -1.55142
|
||||
7 2.00000 -0.13648 -1.98137 0.40691 1.92583 -0.66976 -1.83442 0.92013 1.70884 -1.15336 -1.55142 1.36511
|
||||
8 2.00000 -0.66976 -1.55142 1.70884 0.40691 -1.98137 0.92013 1.36511 -1.83442 -0.13648 1.92583 -1.15336
|
||||
9 2.00000 -1.15336 -0.66976 1.92583 -1.55142 -0.13648 1.70884 -1.83442 0.40691 1.36511 -1.98137 0.92013
|
||||
10 2.00000 -1.55142 0.40691 0.92013 -1.83442 1.92583 -1.15336 -0.13648 1.36511 -1.98137 1.70884 -0.66976
|
||||
11 2.00000 -1.83442 1.36511 -0.66976 -0.13648 0.92013 -1.55142 1.92583 -1.98137 1.70884 -1.15336 0.40691
|
||||
12 2.00000 -1.98137 1.92583 -1.83442 1.70884 -1.55142 1.36511 -1.15336 0.92013 -0.66976 0.40691 -0.13648
|
||||
|
56
data/Symmetry/C23h
Normal file
56
data/Symmetry/C23h
Normal file
|
@ -0,0 +1,56 @@
|
|||
Group C23h
|
||||
n 24
|
||||
|
||||
Irred Operation
|
||||
1 A' E
|
||||
2 A" C23
|
||||
3 E1' C23^2
|
||||
4 E1" C23^3
|
||||
5 E2' C23^4
|
||||
6 E2" C23^5
|
||||
7 E3' C23^6
|
||||
8 E3" C23^7
|
||||
9 E4' C23^8
|
||||
10 E4" C23^9
|
||||
11 E5' C23^10
|
||||
12 E5" C23^11
|
||||
13 E6' sh
|
||||
14 E6" S23
|
||||
15 E7' S23^3
|
||||
16 E7" S23^5
|
||||
17 E8' S23^7
|
||||
18 E8" S23^9
|
||||
19 E9' S23^11
|
||||
20 E9" S23^13
|
||||
21 E10' S23^15
|
||||
22 E10" S23^17
|
||||
23 E11' S23^19
|
||||
24 E11" S23^21
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.92583 1.70884 1.36511 0.92013 0.40691 -0.13648 -0.66976 -1.15336 -1.55142 -1.83442 -1.98137 2.00000 1.92583 1.36511 0.40691 -0.66976 -1.55142 -1.98137 -1.83442 -1.15336 -0.13648 0.92013 1.70884
|
||||
4 2.00000 1.92583 1.70884 1.36511 0.92013 0.40691 -0.13648 -0.66976 -1.15336 -1.55142 -1.83442 -1.98137 -2.00000 -1.92583 -1.36511 -0.40691 0.66976 1.55142 1.98137 1.83442 1.15336 0.13648 -0.92013 -1.70884
|
||||
5 2.00000 1.70884 0.92013 -0.13648 -1.15336 -1.83442 -1.98137 -1.55142 -0.66976 0.40691 1.36511 1.92583 2.00000 1.70884 -0.13648 -1.83442 -1.55142 0.40691 1.92583 1.36511 -0.66976 -1.98137 -1.15336 0.92013
|
||||
6 2.00000 1.70884 0.92013 -0.13648 -1.15336 -1.83442 -1.98137 -1.55142 -0.66976 0.40691 1.36511 1.92583 -2.00000 -1.70884 0.13648 1.83442 1.55142 -0.40691 -1.92583 -1.36511 0.66976 1.98137 1.15336 -0.92013
|
||||
7 2.00000 1.36511 -0.13648 -1.55142 -1.98137 -1.15336 0.40691 1.70884 1.92583 0.92013 -0.66976 -1.83442 2.00000 1.36511 -1.55142 -1.15336 1.70884 0.92013 -1.83442 -0.66976 1.92583 0.40691 -1.98137 -0.13648
|
||||
8 2.00000 1.36511 -0.13648 -1.55142 -1.98137 -1.15336 0.40691 1.70884 1.92583 0.92013 -0.66976 -1.83442 -2.00000 -1.36511 1.55142 1.15336 -1.70884 -0.92013 1.83442 0.66976 -1.92583 -0.40691 1.98137 0.13648
|
||||
9 2.00000 0.92013 -1.15336 -1.98137 -0.66976 1.36511 1.92583 0.40691 -1.55142 -1.83442 -0.13648 1.70884 2.00000 0.92013 -1.98137 1.36511 0.40691 -1.83442 1.70884 -0.13648 -1.55142 1.92583 -0.66976 -1.15336
|
||||
10 2.00000 0.92013 -1.15336 -1.98137 -0.66976 1.36511 1.92583 0.40691 -1.55142 -1.83442 -0.13648 1.70884 -2.00000 -0.92013 1.98137 -1.36511 -0.40691 1.83442 -1.70884 0.13648 1.55142 -1.92583 0.66976 1.15336
|
||||
11 2.00000 0.40691 -1.83442 -1.15336 1.36511 1.70884 -0.66976 -1.98137 -0.13648 1.92583 0.92013 -1.55142 2.00000 0.40691 -1.15336 1.70884 -1.98137 1.92583 -1.55142 0.92013 -0.13648 -0.66976 1.36511 -1.83442
|
||||
12 2.00000 0.40691 -1.83442 -1.15336 1.36511 1.70884 -0.66976 -1.98137 -0.13648 1.92583 0.92013 -1.55142 -2.00000 -0.40691 1.15336 -1.70884 1.98137 -1.92583 1.55142 -0.92013 0.13648 0.66976 -1.36511 1.83442
|
||||
13 2.00000 -0.13648 -1.98137 0.40691 1.92583 -0.66976 -1.83442 0.92013 1.70884 -1.15336 -1.55142 1.36511 2.00000 -0.13648 0.40691 -0.66976 0.92013 -1.15336 1.36511 -1.55142 1.70884 -1.83442 1.92583 -1.98137
|
||||
14 2.00000 -0.13648 -1.98137 0.40691 1.92583 -0.66976 -1.83442 0.92013 1.70884 -1.15336 -1.55142 1.36511 -2.00000 0.13648 -0.40691 0.66976 -0.92013 1.15336 -1.36511 1.55142 -1.70884 1.83442 -1.92583 1.98137
|
||||
15 2.00000 -0.66976 -1.55142 1.70884 0.40691 -1.98137 0.92013 1.36511 -1.83442 -0.13648 1.92583 -1.15336 2.00000 -0.66976 1.70884 -1.98137 1.36511 -0.13648 -1.15336 1.92583 -1.83442 0.92013 0.40691 -1.55142
|
||||
16 2.00000 -0.66976 -1.55142 1.70884 0.40691 -1.98137 0.92013 1.36511 -1.83442 -0.13648 1.92583 -1.15336 -2.00000 0.66976 -1.70884 1.98137 -1.36511 0.13648 1.15336 -1.92583 1.83442 -0.92013 -0.40691 1.55142
|
||||
17 2.00000 -1.15336 -0.66976 1.92583 -1.55142 -0.13648 1.70884 -1.83442 0.40691 1.36511 -1.98137 0.92013 2.00000 -1.15336 1.92583 -0.13648 -1.83442 1.36511 0.92013 -1.98137 0.40691 1.70884 -1.55142 -0.66976
|
||||
18 2.00000 -1.15336 -0.66976 1.92583 -1.55142 -0.13648 1.70884 -1.83442 0.40691 1.36511 -1.98137 0.92013 -2.00000 1.15336 -1.92583 0.13648 1.83442 -1.36511 -0.92013 1.98137 -0.40691 -1.70884 1.55142 0.66976
|
||||
19 2.00000 -1.55142 0.40691 0.92013 -1.83442 1.92583 -1.15336 -0.13648 1.36511 -1.98137 1.70884 -0.66976 2.00000 -1.55142 0.92013 1.92583 -0.13648 -1.98137 -0.66976 1.70884 1.36511 -1.15336 -1.83442 0.40691
|
||||
20 2.00000 -1.55142 0.40691 0.92013 -1.83442 1.92583 -1.15336 -0.13648 1.36511 -1.98137 1.70884 -0.66976 -2.00000 1.55142 -0.92013 -1.92583 0.13648 1.98137 0.66976 -1.70884 -1.36511 1.15336 1.83442 -0.40691
|
||||
21 2.00000 -1.83442 1.36511 -0.66976 -0.13648 0.92013 -1.55142 1.92583 -1.98137 1.70884 -1.15336 0.40691 2.00000 -1.83442 -0.66976 0.92013 1.92583 1.70884 0.40691 -1.15336 -1.98137 -1.55142 -0.13648 1.36511
|
||||
22 2.00000 -1.83442 1.36511 -0.66976 -0.13648 0.92013 -1.55142 1.92583 -1.98137 1.70884 -1.15336 0.40691 -2.00000 1.83442 0.66976 -0.92013 -1.92583 -1.70884 -0.40691 1.15336 1.98137 1.55142 0.13648 -1.36511
|
||||
23 2.00000 -1.98137 1.92583 -1.83442 1.70884 -1.55142 1.36511 -1.15336 0.92013 -0.66976 0.40691 -0.13648 2.00000 -1.98137 -1.83442 -1.55142 -1.15336 -0.66976 -0.13648 0.40691 0.92013 1.36511 1.70884 1.92583
|
||||
24 2.00000 -1.98137 1.92583 -1.83442 1.70884 -1.55142 1.36511 -1.15336 0.92013 -0.66976 0.40691 -0.13648 -2.00000 1.98137 1.83442 1.55142 1.15336 0.66976 0.13648 -0.40691 -0.92013 -1.36511 -1.70884 -1.92583
|
||||
|
34
data/Symmetry/C23v
Normal file
34
data/Symmetry/C23v
Normal file
|
@ -0,0 +1,34 @@
|
|||
Group C23v
|
||||
n 13
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C23
|
||||
3 E1 C23^2
|
||||
4 E2 C23^3
|
||||
5 E3 C23^4
|
||||
6 E4 C23^5
|
||||
7 E5 C23^6
|
||||
8 E6 C23^7
|
||||
9 E7 C23^8
|
||||
10 E8 C23^9
|
||||
11 E9 C23^10
|
||||
12 E10 C23^11
|
||||
13 E11 sv
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.92583 1.70884 1.36511 0.92013 0.40691 -0.13648 -0.66976 -1.15336 -1.55142 -1.83442 -1.98137 0.00000
|
||||
4 2.00000 1.70884 0.92013 -0.13648 -1.15336 -1.83442 -1.98137 -1.55142 -0.66976 0.40691 1.36511 1.92583 0.00000
|
||||
5 2.00000 1.36511 -0.13648 -1.55142 -1.98137 -1.15336 0.40691 1.70884 1.92583 0.92013 -0.66976 -1.83442 0.00000
|
||||
6 2.00000 0.92013 -1.15336 -1.98137 -0.66976 1.36511 1.92583 0.40691 -1.55142 -1.83442 -0.13648 1.70884 0.00000
|
||||
7 2.00000 0.40691 -1.83442 -1.15336 1.36511 1.70884 -0.66976 -1.98137 -0.13648 1.92583 0.92013 -1.55142 0.00000
|
||||
8 2.00000 -0.13648 -1.98137 0.40691 1.92583 -0.66976 -1.83442 0.92013 1.70884 -1.15336 -1.55142 1.36511 0.00000
|
||||
9 2.00000 -0.66976 -1.55142 1.70884 0.40691 -1.98137 0.92013 1.36511 -1.83442 -0.13648 1.92583 -1.15336 0.00000
|
||||
10 2.00000 -1.15336 -0.66976 1.92583 -1.55142 -0.13648 1.70884 -1.83442 0.40691 1.36511 -1.98137 0.92013 0.00000
|
||||
11 2.00000 -1.55142 0.40691 0.92013 -1.83442 1.92583 -1.15336 -0.13648 1.36511 -1.98137 1.70884 -0.66976 0.00000
|
||||
12 2.00000 -1.83442 1.36511 -0.66976 -0.13648 0.92013 -1.55142 1.92583 -1.98137 1.70884 -1.15336 0.40691 0.00000
|
||||
13 2.00000 -1.98137 1.92583 -1.83442 1.70884 -1.55142 1.36511 -1.15336 0.92013 -0.66976 0.40691 -0.13648 0.00000
|
||||
|
34
data/Symmetry/C24
Normal file
34
data/Symmetry/C24
Normal file
|
@ -0,0 +1,34 @@
|
|||
Group C24
|
||||
n 13
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 B C24
|
||||
3 E1 C12
|
||||
4 E2 C8
|
||||
5 E3 C6
|
||||
6 E4 C24^5
|
||||
7 E5 C4
|
||||
8 E6 C24^7
|
||||
9 E7 C3
|
||||
10 E8 C8^3
|
||||
11 E9 C12^5
|
||||
12 E10 C24^11
|
||||
13 E11 C2
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
3 2.00000 1.93185 1.73205 1.41421 1.00000 0.51764 0.00000 -0.51764 -1.00000 -1.41421 -1.73205 -1.93185 -2.00000
|
||||
4 2.00000 1.73205 1.00000 0.00000 -1.00000 -1.73205 -2.00000 -1.73205 -1.00000 0.00000 1.00000 1.73205 2.00000
|
||||
5 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000 1.41421 0.00000 -1.41421 -2.00000
|
||||
6 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000
|
||||
7 2.00000 0.51764 -1.73205 -1.41421 1.00000 1.93185 0.00000 -1.93185 -1.00000 1.41421 1.73205 -0.51764 -2.00000
|
||||
8 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000
|
||||
9 2.00000 -0.51764 -1.73205 1.41421 1.00000 -1.93185 0.00000 1.93185 -1.00000 -1.41421 1.73205 0.51764 -2.00000
|
||||
10 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000
|
||||
11 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000 -1.41421 0.00000 1.41421 -2.00000
|
||||
12 2.00000 -1.73205 1.00000 0.00000 -1.00000 1.73205 -2.00000 1.73205 -1.00000 0.00000 1.00000 -1.73205 2.00000
|
||||
13 2.00000 -1.93185 1.73205 -1.41421 1.00000 -0.51764 0.00000 0.51764 -1.00000 1.41421 -1.73205 1.93185 -2.00000
|
||||
|
60
data/Symmetry/C24h
Normal file
60
data/Symmetry/C24h
Normal file
|
@ -0,0 +1,60 @@
|
|||
Group C24h
|
||||
n 26
|
||||
|
||||
Irred Operation
|
||||
1 Ag E
|
||||
2 Bg C24
|
||||
3 E1g C12
|
||||
4 E2g C8
|
||||
5 E3g C6
|
||||
6 E4g C24^5
|
||||
7 E5g C4
|
||||
8 E6g C24^7
|
||||
9 E7g C3
|
||||
10 E8g C8^3
|
||||
11 E9g C12^5
|
||||
12 E10g C24^11
|
||||
13 E11g C2
|
||||
14 Au i
|
||||
15 Bu S24
|
||||
16 E1u S12
|
||||
17 E2u S8
|
||||
18 E3u S6
|
||||
19 E4u S24^5
|
||||
20 E5u S4
|
||||
21 E6u S24^7
|
||||
22 E7u S3
|
||||
23 E8u S8^3
|
||||
24 E9u S12^5
|
||||
25 E10u S24^11
|
||||
26 E11u sh
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
3 2.00000 1.93185 1.73205 1.41421 1.00000 0.51764 0.00000 -0.51764 -1.00000 -1.41421 -1.73205 -1.93185 -2.00000 2.00000 -1.93185 -1.73205 -1.41421 -1.00000 -0.51764 0.00000 0.51764 1.00000 1.41421 1.73205 1.93185 -2.00000
|
||||
4 2.00000 1.73205 1.00000 0.00000 -1.00000 -1.73205 -2.00000 -1.73205 -1.00000 0.00000 1.00000 1.73205 2.00000 2.00000 1.73205 1.00000 0.00000 -1.00000 -1.73205 -2.00000 -1.73205 -1.00000 0.00000 1.00000 1.73205 2.00000
|
||||
5 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000 1.41421 0.00000 -1.41421 -2.00000 2.00000 -1.41421 0.00000 1.41421 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 -2.00000
|
||||
6 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000
|
||||
7 2.00000 0.51764 -1.73205 -1.41421 1.00000 1.93185 0.00000 -1.93185 -1.00000 1.41421 1.73205 -0.51764 -2.00000 2.00000 -0.51764 1.73205 1.41421 -1.00000 -1.93185 0.00000 1.93185 1.00000 -1.41421 -1.73205 0.51764 -2.00000
|
||||
8 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000
|
||||
9 2.00000 -0.51764 -1.73205 1.41421 1.00000 -1.93185 0.00000 1.93185 -1.00000 -1.41421 1.73205 0.51764 -2.00000 2.00000 0.51764 1.73205 -1.41421 -1.00000 1.93185 0.00000 -1.93185 1.00000 1.41421 -1.73205 -0.51764 -2.00000
|
||||
10 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000
|
||||
11 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000 -1.41421 0.00000 1.41421 -2.00000 2.00000 1.41421 0.00000 -1.41421 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 -2.00000
|
||||
12 2.00000 -1.73205 1.00000 0.00000 -1.00000 1.73205 -2.00000 1.73205 -1.00000 0.00000 1.00000 -1.73205 2.00000 2.00000 -1.73205 1.00000 0.00000 -1.00000 1.73205 -2.00000 1.73205 -1.00000 0.00000 1.00000 -1.73205 2.00000
|
||||
13 2.00000 -1.93185 1.73205 -1.41421 1.00000 -0.51764 0.00000 0.51764 -1.00000 1.41421 -1.73205 1.93185 -2.00000 2.00000 1.93185 -1.73205 1.41421 -1.00000 0.51764 0.00000 -0.51764 1.00000 -1.41421 1.73205 -1.93185 -2.00000
|
||||
14 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
15 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
16 2.00000 1.93185 1.73205 1.41421 1.00000 0.51764 0.00000 -0.51764 -1.00000 -1.41421 -1.73205 -1.93185 -2.00000 -2.00000 1.93185 1.73205 1.41421 1.00000 0.51764 0.00000 -0.51764 -1.00000 -1.41421 -1.73205 -1.93185 2.00000
|
||||
17 2.00000 1.73205 1.00000 0.00000 -1.00000 -1.73205 -2.00000 -1.73205 -1.00000 0.00000 1.00000 1.73205 2.00000 -2.00000 -1.73205 -1.00000 0.00000 1.00000 1.73205 2.00000 1.73205 1.00000 0.00000 -1.00000 -1.73205 -2.00000
|
||||
18 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000 1.41421 0.00000 -1.41421 -2.00000 -2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000 1.41421 0.00000 -1.41421 2.00000
|
||||
19 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000
|
||||
20 2.00000 0.51764 -1.73205 -1.41421 1.00000 1.93185 0.00000 -1.93185 -1.00000 1.41421 1.73205 -0.51764 -2.00000 -2.00000 0.51764 -1.73205 -1.41421 1.00000 1.93185 0.00000 -1.93185 -1.00000 1.41421 1.73205 -0.51764 2.00000
|
||||
21 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000
|
||||
22 2.00000 -0.51764 -1.73205 1.41421 1.00000 -1.93185 0.00000 1.93185 -1.00000 -1.41421 1.73205 0.51764 -2.00000 -2.00000 -0.51764 -1.73205 1.41421 1.00000 -1.93185 0.00000 1.93185 -1.00000 -1.41421 1.73205 0.51764 2.00000
|
||||
23 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000
|
||||
24 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000 -1.41421 0.00000 1.41421 -2.00000 -2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000 -1.41421 0.00000 1.41421 2.00000
|
||||
25 2.00000 -1.73205 1.00000 0.00000 -1.00000 1.73205 -2.00000 1.73205 -1.00000 0.00000 1.00000 -1.73205 2.00000 -2.00000 1.73205 -1.00000 0.00000 1.00000 -1.73205 2.00000 -1.73205 1.00000 0.00000 -1.00000 1.73205 -2.00000
|
||||
26 2.00000 -1.93185 1.73205 -1.41421 1.00000 -0.51764 0.00000 0.51764 -1.00000 1.41421 -1.73205 1.93185 -2.00000 -2.00000 -1.93185 1.73205 -1.41421 1.00000 -0.51764 0.00000 0.51764 -1.00000 1.41421 -1.73205 1.93185 2.00000
|
||||
|
38
data/Symmetry/C24v
Normal file
38
data/Symmetry/C24v
Normal file
|
@ -0,0 +1,38 @@
|
|||
Group C24v
|
||||
n 15
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C24
|
||||
3 B1 C12
|
||||
4 B2 C8
|
||||
5 E1 C6
|
||||
6 E2 C24^5
|
||||
7 E3 C4
|
||||
8 E4 C24^7
|
||||
9 E5 C3
|
||||
10 E6 C8^3
|
||||
11 E7 C12^5
|
||||
12 E8 C24^11
|
||||
13 E9 C2
|
||||
14 E10 sv
|
||||
15 E11 sd
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000
|
||||
4 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
5 2.00000 1.93185 1.73205 1.41421 1.00000 0.51764 0.00000 -0.51764 -1.00000 -1.41421 -1.73205 -1.93185 -2.00000 0.00000 0.00000
|
||||
6 2.00000 1.73205 1.00000 0.00000 -1.00000 -1.73205 -2.00000 -1.73205 -1.00000 0.00000 1.00000 1.73205 2.00000 0.00000 0.00000
|
||||
7 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000 1.41421 0.00000 -1.41421 -2.00000 0.00000 0.00000
|
||||
8 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 0.00000 0.00000
|
||||
9 2.00000 0.51764 -1.73205 -1.41421 1.00000 1.93185 0.00000 -1.93185 -1.00000 1.41421 1.73205 -0.51764 -2.00000 0.00000 0.00000
|
||||
10 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 0.00000
|
||||
11 2.00000 -0.51764 -1.73205 1.41421 1.00000 -1.93185 0.00000 1.93185 -1.00000 -1.41421 1.73205 0.51764 -2.00000 0.00000 0.00000
|
||||
12 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 0.00000 0.00000
|
||||
13 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000 -1.41421 0.00000 1.41421 -2.00000 0.00000 0.00000
|
||||
14 2.00000 -1.73205 1.00000 0.00000 -1.00000 1.73205 -2.00000 1.73205 -1.00000 0.00000 1.00000 -1.73205 2.00000 0.00000 0.00000
|
||||
15 2.00000 -1.93185 1.73205 -1.41421 1.00000 -0.51764 0.00000 0.51764 -1.00000 1.41421 -1.73205 1.93185 -2.00000 0.00000 0.00000
|
||||
|
34
data/Symmetry/C25
Normal file
34
data/Symmetry/C25
Normal file
|
@ -0,0 +1,34 @@
|
|||
Group C25
|
||||
n 13
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 E1 C25
|
||||
3 E2 C25^2
|
||||
4 E3 C25^3
|
||||
5 E4 C25^4
|
||||
6 E5 C5
|
||||
7 E6 C25^6
|
||||
8 E7 C25^7
|
||||
9 E8 C25^8
|
||||
10 E9 C25^9
|
||||
11 E10 C5^2
|
||||
12 E11 C25^11
|
||||
13 E12 C25^12
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 2.00000 1.93717 1.75261 1.45794 1.07165 0.61803 0.12558 -0.37476 -0.85156 -1.27485 -1.61803 -1.85955 -1.98423
|
||||
3 2.00000 1.75261 1.07165 0.12558 -0.85156 -1.61803 -1.98423 -1.85955 -1.27485 -0.37476 0.61803 1.45794 1.93717
|
||||
4 2.00000 1.45794 0.12558 -1.27485 -1.98423 -1.61803 -0.37476 1.07165 1.93717 1.75261 0.61803 -0.85156 -1.85955
|
||||
5 2.00000 1.07165 -0.85156 -1.98423 -1.27485 0.61803 1.93717 1.45794 -0.37476 -1.85955 -1.61803 0.12558 1.75261
|
||||
6 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803
|
||||
7 2.00000 0.12558 -1.98423 -0.37476 1.93717 0.61803 -1.85955 -0.85156 1.75261 1.07165 -1.61803 -1.27485 1.45794
|
||||
8 2.00000 -0.37476 -1.85955 1.07165 1.45794 -1.61803 -0.85156 1.93717 0.12558 -1.98423 0.61803 1.75261 -1.27485
|
||||
9 2.00000 -0.85156 -1.27485 1.93717 -0.37476 -1.61803 1.75261 0.12558 -1.85955 1.45794 0.61803 -1.98423 1.07165
|
||||
10 2.00000 -1.27485 -0.37476 1.75261 -1.85955 0.61803 1.07165 -1.98423 1.45794 0.12558 -1.61803 1.93717 -0.85156
|
||||
11 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803
|
||||
12 2.00000 -1.85955 1.45794 -0.85156 0.12558 0.61803 -1.27485 1.75261 -1.98423 1.93717 -1.61803 1.07165 -0.37476
|
||||
13 2.00000 -1.98423 1.93717 -1.85955 1.75261 -1.61803 1.45794 -1.27485 1.07165 -0.85156 0.61803 -0.37476 0.12558
|
||||
|
60
data/Symmetry/C25h
Normal file
60
data/Symmetry/C25h
Normal file
|
@ -0,0 +1,60 @@
|
|||
Group C25h
|
||||
n 26
|
||||
|
||||
Irred Operation
|
||||
1 A' E
|
||||
2 A" C25
|
||||
3 E1' C25^2
|
||||
4 E1" C25^3
|
||||
5 E2' C25^4
|
||||
6 E2" C5
|
||||
7 E3' C25^6
|
||||
8 E3" C25^7
|
||||
9 E4' C25^8
|
||||
10 E4" C25^9
|
||||
11 E5' C5^2
|
||||
12 E5" C25^11
|
||||
13 E6' C25^12
|
||||
14 E6" sh
|
||||
15 E7' S25
|
||||
16 E7" S25^3
|
||||
17 E8' S5
|
||||
18 E8" S25^7
|
||||
19 E9' S25^9
|
||||
20 E9" S25^11
|
||||
21 E10' S25^13
|
||||
22 E10" S5^3
|
||||
23 E11' S25^17
|
||||
24 E11" S25^19
|
||||
25 E12' S25^21
|
||||
26 E12" S25^23
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.93717 1.75261 1.45794 1.07165 0.61803 0.12558 -0.37476 -0.85156 -1.27485 -1.61803 -1.85955 -1.98423 2.00000 1.93717 1.45794 0.61803 -0.37476 -1.27485 -1.85955 -1.98423 -1.61803 -0.85156 0.12558 1.07165 1.75261
|
||||
4 2.00000 1.93717 1.75261 1.45794 1.07165 0.61803 0.12558 -0.37476 -0.85156 -1.27485 -1.61803 -1.85955 -1.98423 -2.00000 -1.93717 -1.45794 -0.61803 0.37476 1.27485 1.85955 1.98423 1.61803 0.85156 -0.12558 -1.07165 -1.75261
|
||||
5 2.00000 1.75261 1.07165 0.12558 -0.85156 -1.61803 -1.98423 -1.85955 -1.27485 -0.37476 0.61803 1.45794 1.93717 2.00000 1.75261 0.12558 -1.61803 -1.85955 -0.37476 1.45794 1.93717 0.61803 -1.27485 -1.98423 -0.85156 1.07165
|
||||
6 2.00000 1.75261 1.07165 0.12558 -0.85156 -1.61803 -1.98423 -1.85955 -1.27485 -0.37476 0.61803 1.45794 1.93717 -2.00000 -1.75261 -0.12558 1.61803 1.85955 0.37476 -1.45794 -1.93717 -0.61803 1.27485 1.98423 0.85156 -1.07165
|
||||
7 2.00000 1.45794 0.12558 -1.27485 -1.98423 -1.61803 -0.37476 1.07165 1.93717 1.75261 0.61803 -0.85156 -1.85955 2.00000 1.45794 -1.27485 -1.61803 1.07165 1.75261 -0.85156 -1.85955 0.61803 1.93717 -0.37476 -1.98423 0.12558
|
||||
8 2.00000 1.45794 0.12558 -1.27485 -1.98423 -1.61803 -0.37476 1.07165 1.93717 1.75261 0.61803 -0.85156 -1.85955 -2.00000 -1.45794 1.27485 1.61803 -1.07165 -1.75261 0.85156 1.85955 -0.61803 -1.93717 0.37476 1.98423 -0.12558
|
||||
9 2.00000 1.07165 -0.85156 -1.98423 -1.27485 0.61803 1.93717 1.45794 -0.37476 -1.85955 -1.61803 0.12558 1.75261 2.00000 1.07165 -1.98423 0.61803 1.45794 -1.85955 0.12558 1.75261 -1.61803 -0.37476 1.93717 -1.27485 -0.85156
|
||||
10 2.00000 1.07165 -0.85156 -1.98423 -1.27485 0.61803 1.93717 1.45794 -0.37476 -1.85955 -1.61803 0.12558 1.75261 -2.00000 -1.07165 1.98423 -0.61803 -1.45794 1.85955 -0.12558 -1.75261 1.61803 0.37476 -1.93717 1.27485 0.85156
|
||||
11 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 2.00000 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803
|
||||
12 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -2.00000 -0.61803 1.61803 -2.00000 1.61803 -0.61803 -0.61803 1.61803 -2.00000 1.61803 -0.61803 -0.61803 1.61803
|
||||
13 2.00000 0.12558 -1.98423 -0.37476 1.93717 0.61803 -1.85955 -0.85156 1.75261 1.07165 -1.61803 -1.27485 1.45794 2.00000 0.12558 -0.37476 0.61803 -0.85156 1.07165 -1.27485 1.45794 -1.61803 1.75261 -1.85955 1.93717 -1.98423
|
||||
14 2.00000 0.12558 -1.98423 -0.37476 1.93717 0.61803 -1.85955 -0.85156 1.75261 1.07165 -1.61803 -1.27485 1.45794 -2.00000 -0.12558 0.37476 -0.61803 0.85156 -1.07165 1.27485 -1.45794 1.61803 -1.75261 1.85955 -1.93717 1.98423
|
||||
15 2.00000 -0.37476 -1.85955 1.07165 1.45794 -1.61803 -0.85156 1.93717 0.12558 -1.98423 0.61803 1.75261 -1.27485 2.00000 -0.37476 1.07165 -1.61803 1.93717 -1.98423 1.75261 -1.27485 0.61803 0.12558 -0.85156 1.45794 -1.85955
|
||||
16 2.00000 -0.37476 -1.85955 1.07165 1.45794 -1.61803 -0.85156 1.93717 0.12558 -1.98423 0.61803 1.75261 -1.27485 -2.00000 0.37476 -1.07165 1.61803 -1.93717 1.98423 -1.75261 1.27485 -0.61803 -0.12558 0.85156 -1.45794 1.85955
|
||||
17 2.00000 -0.85156 -1.27485 1.93717 -0.37476 -1.61803 1.75261 0.12558 -1.85955 1.45794 0.61803 -1.98423 1.07165 2.00000 -0.85156 1.93717 -1.61803 0.12558 1.45794 -1.98423 1.07165 0.61803 -1.85955 1.75261 -0.37476 -1.27485
|
||||
18 2.00000 -0.85156 -1.27485 1.93717 -0.37476 -1.61803 1.75261 0.12558 -1.85955 1.45794 0.61803 -1.98423 1.07165 -2.00000 0.85156 -1.93717 1.61803 -0.12558 -1.45794 1.98423 -1.07165 -0.61803 1.85955 -1.75261 0.37476 1.27485
|
||||
19 2.00000 -1.27485 -0.37476 1.75261 -1.85955 0.61803 1.07165 -1.98423 1.45794 0.12558 -1.61803 1.93717 -0.85156 2.00000 -1.27485 1.75261 0.61803 -1.98423 0.12558 1.93717 -0.85156 -1.61803 1.45794 1.07165 -1.85955 -0.37476
|
||||
20 2.00000 -1.27485 -0.37476 1.75261 -1.85955 0.61803 1.07165 -1.98423 1.45794 0.12558 -1.61803 1.93717 -0.85156 -2.00000 1.27485 -1.75261 -0.61803 1.98423 -0.12558 -1.93717 0.85156 1.61803 -1.45794 -1.07165 1.85955 0.37476
|
||||
21 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 2.00000 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803
|
||||
22 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 -2.00000 1.61803 -0.61803 -2.00000 -0.61803 1.61803 1.61803 -0.61803 -2.00000 -0.61803 1.61803 1.61803 -0.61803
|
||||
23 2.00000 -1.85955 1.45794 -0.85156 0.12558 0.61803 -1.27485 1.75261 -1.98423 1.93717 -1.61803 1.07165 -0.37476 2.00000 -1.85955 -0.85156 0.61803 1.75261 1.93717 1.07165 -0.37476 -1.61803 -1.98423 -1.27485 0.12558 1.45794
|
||||
24 2.00000 -1.85955 1.45794 -0.85156 0.12558 0.61803 -1.27485 1.75261 -1.98423 1.93717 -1.61803 1.07165 -0.37476 -2.00000 1.85955 0.85156 -0.61803 -1.75261 -1.93717 -1.07165 0.37476 1.61803 1.98423 1.27485 -0.12558 -1.45794
|
||||
25 2.00000 -1.98423 1.93717 -1.85955 1.75261 -1.61803 1.45794 -1.27485 1.07165 -0.85156 0.61803 -0.37476 0.12558 2.00000 -1.98423 -1.85955 -1.61803 -1.27485 -0.85156 -0.37476 0.12558 0.61803 1.07165 1.45794 1.75261 1.93717
|
||||
26 2.00000 -1.98423 1.93717 -1.85955 1.75261 -1.61803 1.45794 -1.27485 1.07165 -0.85156 0.61803 -0.37476 0.12558 -2.00000 1.98423 1.85955 1.61803 1.27485 0.85156 0.37476 -0.12558 -0.61803 -1.07165 -1.45794 -1.75261 -1.93717
|
||||
|
36
data/Symmetry/C25v
Normal file
36
data/Symmetry/C25v
Normal file
|
@ -0,0 +1,36 @@
|
|||
Group C25v
|
||||
n 14
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C25
|
||||
3 E1 C25^2
|
||||
4 E2 C25^3
|
||||
5 E3 C25^4
|
||||
6 E4 C5
|
||||
7 E5 C25^6
|
||||
8 E6 C25^7
|
||||
9 E7 C25^8
|
||||
10 E8 C25^9
|
||||
11 E9 C5^2
|
||||
12 E10 C25^11
|
||||
13 E11 C25^12
|
||||
14 E12 sv
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.93717 1.75261 1.45794 1.07165 0.61803 0.12558 -0.37476 -0.85156 -1.27485 -1.61803 -1.85955 -1.98423 0.00000
|
||||
4 2.00000 1.75261 1.07165 0.12558 -0.85156 -1.61803 -1.98423 -1.85955 -1.27485 -0.37476 0.61803 1.45794 1.93717 0.00000
|
||||
5 2.00000 1.45794 0.12558 -1.27485 -1.98423 -1.61803 -0.37476 1.07165 1.93717 1.75261 0.61803 -0.85156 -1.85955 0.00000
|
||||
6 2.00000 1.07165 -0.85156 -1.98423 -1.27485 0.61803 1.93717 1.45794 -0.37476 -1.85955 -1.61803 0.12558 1.75261 0.00000
|
||||
7 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 0.00000
|
||||
8 2.00000 0.12558 -1.98423 -0.37476 1.93717 0.61803 -1.85955 -0.85156 1.75261 1.07165 -1.61803 -1.27485 1.45794 0.00000
|
||||
9 2.00000 -0.37476 -1.85955 1.07165 1.45794 -1.61803 -0.85156 1.93717 0.12558 -1.98423 0.61803 1.75261 -1.27485 0.00000
|
||||
10 2.00000 -0.85156 -1.27485 1.93717 -0.37476 -1.61803 1.75261 0.12558 -1.85955 1.45794 0.61803 -1.98423 1.07165 0.00000
|
||||
11 2.00000 -1.27485 -0.37476 1.75261 -1.85955 0.61803 1.07165 -1.98423 1.45794 0.12558 -1.61803 1.93717 -0.85156 0.00000
|
||||
12 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.00000
|
||||
13 2.00000 -1.85955 1.45794 -0.85156 0.12558 0.61803 -1.27485 1.75261 -1.98423 1.93717 -1.61803 1.07165 -0.37476 0.00000
|
||||
14 2.00000 -1.98423 1.93717 -1.85955 1.75261 -1.61803 1.45794 -1.27485 1.07165 -0.85156 0.61803 -0.37476 0.12558 0.00000
|
||||
|
36
data/Symmetry/C26
Normal file
36
data/Symmetry/C26
Normal file
|
@ -0,0 +1,36 @@
|
|||
Group C26
|
||||
n 14
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 B C26
|
||||
3 E1 C13
|
||||
4 E2 C26^3
|
||||
5 E3 C13^2
|
||||
6 E4 C26^5
|
||||
7 E5 C13^3
|
||||
8 E6 C26^7
|
||||
9 E7 C13^4
|
||||
10 E8 C26^9
|
||||
11 E9 C13^5
|
||||
12 E10 C26^11
|
||||
13 E11 C13^6
|
||||
14 E12 C2
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.94188 1.77091 1.49702 1.13613 0.70921 0.24107 -0.24107 -0.70921 -1.13613 -1.49702 -1.77091 -1.94188 -2.00000
|
||||
4 2.00000 1.77091 1.13613 0.24107 -0.70921 -1.49702 -1.94188 -1.94188 -1.49702 -0.70921 0.24107 1.13613 1.77091 2.00000
|
||||
5 2.00000 1.49702 0.24107 -1.13613 -1.94188 -1.77091 -0.70921 0.70921 1.77091 1.94188 1.13613 -0.24107 -1.49702 -2.00000
|
||||
6 2.00000 1.13613 -0.70921 -1.94188 -1.49702 0.24107 1.77091 1.77091 0.24107 -1.49702 -1.94188 -0.70921 1.13613 2.00000
|
||||
7 2.00000 0.70921 -1.49702 -1.77091 0.24107 1.94188 1.13613 -1.13613 -1.94188 -0.24107 1.77091 1.49702 -0.70921 -2.00000
|
||||
8 2.00000 0.24107 -1.94188 -0.70921 1.77091 1.13613 -1.49702 -1.49702 1.13613 1.77091 -0.70921 -1.94188 0.24107 2.00000
|
||||
9 2.00000 -0.24107 -1.94188 0.70921 1.77091 -1.13613 -1.49702 1.49702 1.13613 -1.77091 -0.70921 1.94188 0.24107 -2.00000
|
||||
10 2.00000 -0.70921 -1.49702 1.77091 0.24107 -1.94188 1.13613 1.13613 -1.94188 0.24107 1.77091 -1.49702 -0.70921 2.00000
|
||||
11 2.00000 -1.13613 -0.70921 1.94188 -1.49702 -0.24107 1.77091 -1.77091 0.24107 1.49702 -1.94188 0.70921 1.13613 -2.00000
|
||||
12 2.00000 -1.49702 0.24107 1.13613 -1.94188 1.77091 -0.70921 -0.70921 1.77091 -1.94188 1.13613 0.24107 -1.49702 2.00000
|
||||
13 2.00000 -1.77091 1.13613 -0.24107 -0.70921 1.49702 -1.94188 1.94188 -1.49702 0.70921 0.24107 -1.13613 1.77091 -2.00000
|
||||
14 2.00000 -1.94188 1.77091 -1.49702 1.13613 -0.70921 0.24107 0.24107 -0.70921 1.13613 -1.49702 1.77091 -1.94188 2.00000
|
||||
|
64
data/Symmetry/C26h
Normal file
64
data/Symmetry/C26h
Normal file
|
@ -0,0 +1,64 @@
|
|||
Group C26h
|
||||
n 28
|
||||
|
||||
Irred Operation
|
||||
1 Ag E
|
||||
2 Bg C26
|
||||
3 E1g C13
|
||||
4 E2g C26^3
|
||||
5 E3g C13^2
|
||||
6 E4g C26^5
|
||||
7 E5g C13^3
|
||||
8 E6g C26^7
|
||||
9 E7g C13^4
|
||||
10 E8g C26^9
|
||||
11 E9g C13^5
|
||||
12 E10g C26^11
|
||||
13 E11g C13^6
|
||||
14 E12g C2
|
||||
15 Au i
|
||||
16 Bu S26
|
||||
17 E1u S13
|
||||
18 E2u S26^3
|
||||
19 E3u S13^2
|
||||
20 E4u S26^5
|
||||
21 E5u S13^3
|
||||
22 E6u S26^7
|
||||
23 E7u S13^4
|
||||
24 E8u S26^9
|
||||
25 E9u S13^5
|
||||
26 E10u S26^11
|
||||
27 E11u S13^6
|
||||
28 E12u sh
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.94188 1.77091 1.49702 1.13613 0.70921 0.24107 -0.24107 -0.70921 -1.13613 -1.49702 -1.77091 -1.94188 -2.00000 2.00000 -1.94188 -1.77091 -1.49702 -1.13613 -0.70921 -0.24107 0.24107 0.70921 1.13613 1.49702 1.77091 1.94188 -2.00000
|
||||
4 2.00000 1.77091 1.13613 0.24107 -0.70921 -1.49702 -1.94188 -1.94188 -1.49702 -0.70921 0.24107 1.13613 1.77091 2.00000 2.00000 1.77091 1.13613 0.24107 -0.70921 -1.49702 -1.94188 -1.94188 -1.49702 -0.70921 0.24107 1.13613 1.77091 2.00000
|
||||
5 2.00000 1.49702 0.24107 -1.13613 -1.94188 -1.77091 -0.70921 0.70921 1.77091 1.94188 1.13613 -0.24107 -1.49702 -2.00000 2.00000 -1.49702 -0.24107 1.13613 1.94188 1.77091 0.70921 -0.70921 -1.77091 -1.94188 -1.13613 0.24107 1.49702 -2.00000
|
||||
6 2.00000 1.13613 -0.70921 -1.94188 -1.49702 0.24107 1.77091 1.77091 0.24107 -1.49702 -1.94188 -0.70921 1.13613 2.00000 2.00000 1.13613 -0.70921 -1.94188 -1.49702 0.24107 1.77091 1.77091 0.24107 -1.49702 -1.94188 -0.70921 1.13613 2.00000
|
||||
7 2.00000 0.70921 -1.49702 -1.77091 0.24107 1.94188 1.13613 -1.13613 -1.94188 -0.24107 1.77091 1.49702 -0.70921 -2.00000 2.00000 -0.70921 1.49702 1.77091 -0.24107 -1.94188 -1.13613 1.13613 1.94188 0.24107 -1.77091 -1.49702 0.70921 -2.00000
|
||||
8 2.00000 0.24107 -1.94188 -0.70921 1.77091 1.13613 -1.49702 -1.49702 1.13613 1.77091 -0.70921 -1.94188 0.24107 2.00000 2.00000 0.24107 -1.94188 -0.70921 1.77091 1.13613 -1.49702 -1.49702 1.13613 1.77091 -0.70921 -1.94188 0.24107 2.00000
|
||||
9 2.00000 -0.24107 -1.94188 0.70921 1.77091 -1.13613 -1.49702 1.49702 1.13613 -1.77091 -0.70921 1.94188 0.24107 -2.00000 2.00000 0.24107 1.94188 -0.70921 -1.77091 1.13613 1.49702 -1.49702 -1.13613 1.77091 0.70921 -1.94188 -0.24107 -2.00000
|
||||
10 2.00000 -0.70921 -1.49702 1.77091 0.24107 -1.94188 1.13613 1.13613 -1.94188 0.24107 1.77091 -1.49702 -0.70921 2.00000 2.00000 -0.70921 -1.49702 1.77091 0.24107 -1.94188 1.13613 1.13613 -1.94188 0.24107 1.77091 -1.49702 -0.70921 2.00000
|
||||
11 2.00000 -1.13613 -0.70921 1.94188 -1.49702 -0.24107 1.77091 -1.77091 0.24107 1.49702 -1.94188 0.70921 1.13613 -2.00000 2.00000 1.13613 0.70921 -1.94188 1.49702 0.24107 -1.77091 1.77091 -0.24107 -1.49702 1.94188 -0.70921 -1.13613 -2.00000
|
||||
12 2.00000 -1.49702 0.24107 1.13613 -1.94188 1.77091 -0.70921 -0.70921 1.77091 -1.94188 1.13613 0.24107 -1.49702 2.00000 2.00000 -1.49702 0.24107 1.13613 -1.94188 1.77091 -0.70921 -0.70921 1.77091 -1.94188 1.13613 0.24107 -1.49702 2.00000
|
||||
13 2.00000 -1.77091 1.13613 -0.24107 -0.70921 1.49702 -1.94188 1.94188 -1.49702 0.70921 0.24107 -1.13613 1.77091 -2.00000 2.00000 1.77091 -1.13613 0.24107 0.70921 -1.49702 1.94188 -1.94188 1.49702 -0.70921 -0.24107 1.13613 -1.77091 -2.00000
|
||||
14 2.00000 -1.94188 1.77091 -1.49702 1.13613 -0.70921 0.24107 0.24107 -0.70921 1.13613 -1.49702 1.77091 -1.94188 2.00000 2.00000 -1.94188 1.77091 -1.49702 1.13613 -0.70921 0.24107 0.24107 -0.70921 1.13613 -1.49702 1.77091 -1.94188 2.00000
|
||||
15 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
16 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000
|
||||
17 2.00000 1.94188 1.77091 1.49702 1.13613 0.70921 0.24107 -0.24107 -0.70921 -1.13613 -1.49702 -1.77091 -1.94188 -2.00000 -2.00000 1.94188 1.77091 1.49702 1.13613 0.70921 0.24107 -0.24107 -0.70921 -1.13613 -1.49702 -1.77091 -1.94188 2.00000
|
||||
18 2.00000 1.77091 1.13613 0.24107 -0.70921 -1.49702 -1.94188 -1.94188 -1.49702 -0.70921 0.24107 1.13613 1.77091 2.00000 -2.00000 -1.77091 -1.13613 -0.24107 0.70921 1.49702 1.94188 1.94188 1.49702 0.70921 -0.24107 -1.13613 -1.77091 -2.00000
|
||||
19 2.00000 1.49702 0.24107 -1.13613 -1.94188 -1.77091 -0.70921 0.70921 1.77091 1.94188 1.13613 -0.24107 -1.49702 -2.00000 -2.00000 1.49702 0.24107 -1.13613 -1.94188 -1.77091 -0.70921 0.70921 1.77091 1.94188 1.13613 -0.24107 -1.49702 2.00000
|
||||
20 2.00000 1.13613 -0.70921 -1.94188 -1.49702 0.24107 1.77091 1.77091 0.24107 -1.49702 -1.94188 -0.70921 1.13613 2.00000 -2.00000 -1.13613 0.70921 1.94188 1.49702 -0.24107 -1.77091 -1.77091 -0.24107 1.49702 1.94188 0.70921 -1.13613 -2.00000
|
||||
21 2.00000 0.70921 -1.49702 -1.77091 0.24107 1.94188 1.13613 -1.13613 -1.94188 -0.24107 1.77091 1.49702 -0.70921 -2.00000 -2.00000 0.70921 -1.49702 -1.77091 0.24107 1.94188 1.13613 -1.13613 -1.94188 -0.24107 1.77091 1.49702 -0.70921 2.00000
|
||||
22 2.00000 0.24107 -1.94188 -0.70921 1.77091 1.13613 -1.49702 -1.49702 1.13613 1.77091 -0.70921 -1.94188 0.24107 2.00000 -2.00000 -0.24107 1.94188 0.70921 -1.77091 -1.13613 1.49702 1.49702 -1.13613 -1.77091 0.70921 1.94188 -0.24107 -2.00000
|
||||
23 2.00000 -0.24107 -1.94188 0.70921 1.77091 -1.13613 -1.49702 1.49702 1.13613 -1.77091 -0.70921 1.94188 0.24107 -2.00000 -2.00000 -0.24107 -1.94188 0.70921 1.77091 -1.13613 -1.49702 1.49702 1.13613 -1.77091 -0.70921 1.94188 0.24107 2.00000
|
||||
24 2.00000 -0.70921 -1.49702 1.77091 0.24107 -1.94188 1.13613 1.13613 -1.94188 0.24107 1.77091 -1.49702 -0.70921 2.00000 -2.00000 0.70921 1.49702 -1.77091 -0.24107 1.94188 -1.13613 -1.13613 1.94188 -0.24107 -1.77091 1.49702 0.70921 -2.00000
|
||||
25 2.00000 -1.13613 -0.70921 1.94188 -1.49702 -0.24107 1.77091 -1.77091 0.24107 1.49702 -1.94188 0.70921 1.13613 -2.00000 -2.00000 -1.13613 -0.70921 1.94188 -1.49702 -0.24107 1.77091 -1.77091 0.24107 1.49702 -1.94188 0.70921 1.13613 2.00000
|
||||
26 2.00000 -1.49702 0.24107 1.13613 -1.94188 1.77091 -0.70921 -0.70921 1.77091 -1.94188 1.13613 0.24107 -1.49702 2.00000 -2.00000 1.49702 -0.24107 -1.13613 1.94188 -1.77091 0.70921 0.70921 -1.77091 1.94188 -1.13613 -0.24107 1.49702 -2.00000
|
||||
27 2.00000 -1.77091 1.13613 -0.24107 -0.70921 1.49702 -1.94188 1.94188 -1.49702 0.70921 0.24107 -1.13613 1.77091 -2.00000 -2.00000 -1.77091 1.13613 -0.24107 -0.70921 1.49702 -1.94188 1.94188 -1.49702 0.70921 0.24107 -1.13613 1.77091 2.00000
|
||||
28 2.00000 -1.94188 1.77091 -1.49702 1.13613 -0.70921 0.24107 0.24107 -0.70921 1.13613 -1.49702 1.77091 -1.94188 2.00000 -2.00000 1.94188 -1.77091 1.49702 -1.13613 0.70921 -0.24107 -0.24107 0.70921 -1.13613 1.49702 -1.77091 1.94188 -2.00000
|
||||
|
40
data/Symmetry/C26v
Normal file
40
data/Symmetry/C26v
Normal file
|
@ -0,0 +1,40 @@
|
|||
Group C26v
|
||||
n 16
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C26
|
||||
3 B1 C13
|
||||
4 B2 C26^3
|
||||
5 E1 C13^2
|
||||
6 E2 C26^5
|
||||
7 E3 C13^3
|
||||
8 E4 C26^7
|
||||
9 E5 C13^4
|
||||
10 E6 C26^9
|
||||
11 E7 C13^5
|
||||
12 E8 C26^11
|
||||
13 E9 C13^6
|
||||
14 E10 C2
|
||||
15 E11 sv
|
||||
16 E12 sd
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
4 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000 1.00000
|
||||
5 2.00000 1.94188 1.77091 1.49702 1.13613 0.70921 0.24107 -0.24107 -0.70921 -1.13613 -1.49702 -1.77091 -1.94188 -2.00000 0.00000 0.00000
|
||||
6 2.00000 1.77091 1.13613 0.24107 -0.70921 -1.49702 -1.94188 -1.94188 -1.49702 -0.70921 0.24107 1.13613 1.77091 2.00000 0.00000 0.00000
|
||||
7 2.00000 1.49702 0.24107 -1.13613 -1.94188 -1.77091 -0.70921 0.70921 1.77091 1.94188 1.13613 -0.24107 -1.49702 -2.00000 0.00000 0.00000
|
||||
8 2.00000 1.13613 -0.70921 -1.94188 -1.49702 0.24107 1.77091 1.77091 0.24107 -1.49702 -1.94188 -0.70921 1.13613 2.00000 0.00000 0.00000
|
||||
9 2.00000 0.70921 -1.49702 -1.77091 0.24107 1.94188 1.13613 -1.13613 -1.94188 -0.24107 1.77091 1.49702 -0.70921 -2.00000 0.00000 0.00000
|
||||
10 2.00000 0.24107 -1.94188 -0.70921 1.77091 1.13613 -1.49702 -1.49702 1.13613 1.77091 -0.70921 -1.94188 0.24107 2.00000 0.00000 0.00000
|
||||
11 2.00000 -0.24107 -1.94188 0.70921 1.77091 -1.13613 -1.49702 1.49702 1.13613 -1.77091 -0.70921 1.94188 0.24107 -2.00000 0.00000 0.00000
|
||||
12 2.00000 -0.70921 -1.49702 1.77091 0.24107 -1.94188 1.13613 1.13613 -1.94188 0.24107 1.77091 -1.49702 -0.70921 2.00000 0.00000 0.00000
|
||||
13 2.00000 -1.13613 -0.70921 1.94188 -1.49702 -0.24107 1.77091 -1.77091 0.24107 1.49702 -1.94188 0.70921 1.13613 -2.00000 0.00000 0.00000
|
||||
14 2.00000 -1.49702 0.24107 1.13613 -1.94188 1.77091 -0.70921 -0.70921 1.77091 -1.94188 1.13613 0.24107 -1.49702 2.00000 0.00000 0.00000
|
||||
15 2.00000 -1.77091 1.13613 -0.24107 -0.70921 1.49702 -1.94188 1.94188 -1.49702 0.70921 0.24107 -1.13613 1.77091 -2.00000 0.00000 0.00000
|
||||
16 2.00000 -1.94188 1.77091 -1.49702 1.13613 -0.70921 0.24107 0.24107 -0.70921 1.13613 -1.49702 1.77091 -1.94188 2.00000 0.00000 0.00000
|
||||
|
36
data/Symmetry/C27
Normal file
36
data/Symmetry/C27
Normal file
|
@ -0,0 +1,36 @@
|
|||
Group C27
|
||||
n 14
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 E1 C27
|
||||
3 E2 C27^2
|
||||
4 E3 C9
|
||||
5 E4 C27^4
|
||||
6 E5 C27^5
|
||||
7 E6 C9^2
|
||||
8 E7 C27^7
|
||||
9 E8 C27^8
|
||||
10 E9 C3
|
||||
11 E10 C27^10
|
||||
12 E11 C27^11
|
||||
13 E12 C9^4
|
||||
14 E13 C27^13
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 2.00000 1.94609 1.78727 1.53209 1.19432 0.79216 0.34730 -0.11629 -0.57361 -1.00000 -1.37248 -1.67098 -1.87939 -1.98648
|
||||
3 2.00000 1.78727 1.19432 0.34730 -0.57361 -1.37248 -1.87939 -1.98648 -1.67098 -1.00000 -0.11629 0.79216 1.53209 1.94609
|
||||
4 2.00000 1.53209 0.34730 -1.00000 -1.87939 -1.87939 -1.00000 0.34730 1.53209 2.00000 1.53209 0.34730 -1.00000 -1.87939
|
||||
5 2.00000 1.19432 -0.57361 -1.87939 -1.67098 -0.11629 1.53209 1.94609 0.79216 -1.00000 -1.98648 -1.37248 0.34730 1.78727
|
||||
6 2.00000 0.79216 -1.37248 -1.87939 -0.11629 1.78727 1.53209 -0.57361 -1.98648 -1.00000 1.19432 1.94609 0.34730 -1.67098
|
||||
7 2.00000 0.34730 -1.87939 -1.00000 1.53209 1.53209 -1.00000 -1.87939 0.34730 2.00000 0.34730 -1.87939 -1.00000 1.53209
|
||||
8 2.00000 -0.11629 -1.98648 0.34730 1.94609 -0.57361 -1.87939 0.79216 1.78727 -1.00000 -1.67098 1.19432 1.53209 -1.37248
|
||||
9 2.00000 -0.57361 -1.67098 1.53209 0.79216 -1.98648 0.34730 1.78727 -1.37248 -1.00000 1.94609 -0.11629 -1.87939 1.19432
|
||||
10 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000
|
||||
11 2.00000 -1.37248 -0.11629 1.53209 -1.98648 1.19432 0.34730 -1.67098 1.94609 -1.00000 -0.57361 1.78727 -1.87939 0.79216
|
||||
12 2.00000 -1.67098 0.79216 0.34730 -1.37248 1.94609 -1.87939 1.19432 -0.11629 -1.00000 1.78727 -1.98648 1.53209 -0.57361
|
||||
13 2.00000 -1.87939 1.53209 -1.00000 0.34730 0.34730 -1.00000 1.53209 -1.87939 2.00000 -1.87939 1.53209 -1.00000 0.34730
|
||||
14 2.00000 -1.98648 1.94609 -1.87939 1.78727 -1.67098 1.53209 -1.37248 1.19432 -1.00000 0.79216 -0.57361 0.34730 -0.11629
|
||||
|
64
data/Symmetry/C27h
Normal file
64
data/Symmetry/C27h
Normal file
|
@ -0,0 +1,64 @@
|
|||
Group C27h
|
||||
n 28
|
||||
|
||||
Irred Operation
|
||||
1 A' E
|
||||
2 A" C27
|
||||
3 E1' C27^2
|
||||
4 E1" C9
|
||||
5 E2' C27^4
|
||||
6 E2" C27^5
|
||||
7 E3' C9^2
|
||||
8 E3" C27^7
|
||||
9 E4' C27^8
|
||||
10 E4" C3
|
||||
11 E5' C27^10
|
||||
12 E5" C27^11
|
||||
13 E6' C9^4
|
||||
14 E6" C27^13
|
||||
15 E7' sh
|
||||
16 E7" S27
|
||||
17 E8' S9
|
||||
18 E8" S27^5
|
||||
19 E9' S27^7
|
||||
20 E9" S3
|
||||
21 E10' S27^11
|
||||
22 E10" S27^13
|
||||
23 E11' S9^5
|
||||
24 E11" S27^17
|
||||
25 E12' S27^19
|
||||
26 E12" S9^7
|
||||
27 E13' S27^23
|
||||
28 E13" S27^25
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.94609 1.78727 1.53209 1.19432 0.79216 0.34730 -0.11629 -0.57361 -1.00000 -1.37248 -1.67098 -1.87939 -1.98648 2.00000 1.94609 1.53209 0.79216 -0.11629 -1.00000 -1.67098 -1.98648 -1.87939 -1.37248 -0.57361 0.34730 1.19432 1.78727
|
||||
4 2.00000 1.94609 1.78727 1.53209 1.19432 0.79216 0.34730 -0.11629 -0.57361 -1.00000 -1.37248 -1.67098 -1.87939 -1.98648 -2.00000 -1.94609 -1.53209 -0.79216 0.11629 1.00000 1.67098 1.98648 1.87939 1.37248 0.57361 -0.34730 -1.19432 -1.78727
|
||||
5 2.00000 1.78727 1.19432 0.34730 -0.57361 -1.37248 -1.87939 -1.98648 -1.67098 -1.00000 -0.11629 0.79216 1.53209 1.94609 2.00000 1.78727 0.34730 -1.37248 -1.98648 -1.00000 0.79216 1.94609 1.53209 -0.11629 -1.67098 -1.87939 -0.57361 1.19432
|
||||
6 2.00000 1.78727 1.19432 0.34730 -0.57361 -1.37248 -1.87939 -1.98648 -1.67098 -1.00000 -0.11629 0.79216 1.53209 1.94609 -2.00000 -1.78727 -0.34730 1.37248 1.98648 1.00000 -0.79216 -1.94609 -1.53209 0.11629 1.67098 1.87939 0.57361 -1.19432
|
||||
7 2.00000 1.53209 0.34730 -1.00000 -1.87939 -1.87939 -1.00000 0.34730 1.53209 2.00000 1.53209 0.34730 -1.00000 -1.87939 2.00000 1.53209 -1.00000 -1.87939 0.34730 2.00000 0.34730 -1.87939 -1.00000 1.53209 1.53209 -1.00000 -1.87939 0.34730
|
||||
8 2.00000 1.53209 0.34730 -1.00000 -1.87939 -1.87939 -1.00000 0.34730 1.53209 2.00000 1.53209 0.34730 -1.00000 -1.87939 -2.00000 -1.53209 1.00000 1.87939 -0.34730 -2.00000 -0.34730 1.87939 1.00000 -1.53209 -1.53209 1.00000 1.87939 -0.34730
|
||||
9 2.00000 1.19432 -0.57361 -1.87939 -1.67098 -0.11629 1.53209 1.94609 0.79216 -1.00000 -1.98648 -1.37248 0.34730 1.78727 2.00000 1.19432 -1.87939 -0.11629 1.94609 -1.00000 -1.37248 1.78727 0.34730 -1.98648 0.79216 1.53209 -1.67098 -0.57361
|
||||
10 2.00000 1.19432 -0.57361 -1.87939 -1.67098 -0.11629 1.53209 1.94609 0.79216 -1.00000 -1.98648 -1.37248 0.34730 1.78727 -2.00000 -1.19432 1.87939 0.11629 -1.94609 1.00000 1.37248 -1.78727 -0.34730 1.98648 -0.79216 -1.53209 1.67098 0.57361
|
||||
11 2.00000 0.79216 -1.37248 -1.87939 -0.11629 1.78727 1.53209 -0.57361 -1.98648 -1.00000 1.19432 1.94609 0.34730 -1.67098 2.00000 0.79216 -1.87939 1.78727 -0.57361 -1.00000 1.94609 -1.67098 0.34730 1.19432 -1.98648 1.53209 -0.11629 -1.37248
|
||||
12 2.00000 0.79216 -1.37248 -1.87939 -0.11629 1.78727 1.53209 -0.57361 -1.98648 -1.00000 1.19432 1.94609 0.34730 -1.67098 -2.00000 -0.79216 1.87939 -1.78727 0.57361 1.00000 -1.94609 1.67098 -0.34730 -1.19432 1.98648 -1.53209 0.11629 1.37248
|
||||
13 2.00000 0.34730 -1.87939 -1.00000 1.53209 1.53209 -1.00000 -1.87939 0.34730 2.00000 0.34730 -1.87939 -1.00000 1.53209 2.00000 0.34730 -1.00000 1.53209 -1.87939 2.00000 -1.87939 1.53209 -1.00000 0.34730 0.34730 -1.00000 1.53209 -1.87939
|
||||
14 2.00000 0.34730 -1.87939 -1.00000 1.53209 1.53209 -1.00000 -1.87939 0.34730 2.00000 0.34730 -1.87939 -1.00000 1.53209 -2.00000 -0.34730 1.00000 -1.53209 1.87939 -2.00000 1.87939 -1.53209 1.00000 -0.34730 -0.34730 1.00000 -1.53209 1.87939
|
||||
15 2.00000 -0.11629 -1.98648 0.34730 1.94609 -0.57361 -1.87939 0.79216 1.78727 -1.00000 -1.67098 1.19432 1.53209 -1.37248 2.00000 -0.11629 0.34730 -0.57361 0.79216 -1.00000 1.19432 -1.37248 1.53209 -1.67098 1.78727 -1.87939 1.94609 -1.98648
|
||||
16 2.00000 -0.11629 -1.98648 0.34730 1.94609 -0.57361 -1.87939 0.79216 1.78727 -1.00000 -1.67098 1.19432 1.53209 -1.37248 -2.00000 0.11629 -0.34730 0.57361 -0.79216 1.00000 -1.19432 1.37248 -1.53209 1.67098 -1.78727 1.87939 -1.94609 1.98648
|
||||
17 2.00000 -0.57361 -1.67098 1.53209 0.79216 -1.98648 0.34730 1.78727 -1.37248 -1.00000 1.94609 -0.11629 -1.87939 1.19432 2.00000 -0.57361 1.53209 -1.98648 1.78727 -1.00000 -0.11629 1.19432 -1.87939 1.94609 -1.37248 0.34730 0.79216 -1.67098
|
||||
18 2.00000 -0.57361 -1.67098 1.53209 0.79216 -1.98648 0.34730 1.78727 -1.37248 -1.00000 1.94609 -0.11629 -1.87939 1.19432 -2.00000 0.57361 -1.53209 1.98648 -1.78727 1.00000 0.11629 -1.19432 1.87939 -1.94609 1.37248 -0.34730 -0.79216 1.67098
|
||||
19 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 2.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000
|
||||
20 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -2.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000
|
||||
21 2.00000 -1.37248 -0.11629 1.53209 -1.98648 1.19432 0.34730 -1.67098 1.94609 -1.00000 -0.57361 1.78727 -1.87939 0.79216 2.00000 -1.37248 1.53209 1.19432 -1.67098 -1.00000 1.78727 0.79216 -1.87939 -0.57361 1.94609 0.34730 -1.98648 -0.11629
|
||||
22 2.00000 -1.37248 -0.11629 1.53209 -1.98648 1.19432 0.34730 -1.67098 1.94609 -1.00000 -0.57361 1.78727 -1.87939 0.79216 -2.00000 1.37248 -1.53209 -1.19432 1.67098 1.00000 -1.78727 -0.79216 1.87939 0.57361 -1.94609 -0.34730 1.98648 0.11629
|
||||
23 2.00000 -1.67098 0.79216 0.34730 -1.37248 1.94609 -1.87939 1.19432 -0.11629 -1.00000 1.78727 -1.98648 1.53209 -0.57361 2.00000 -1.67098 0.34730 1.94609 1.19432 -1.00000 -1.98648 -0.57361 1.53209 1.78727 -0.11629 -1.87939 -1.37248 0.79216
|
||||
24 2.00000 -1.67098 0.79216 0.34730 -1.37248 1.94609 -1.87939 1.19432 -0.11629 -1.00000 1.78727 -1.98648 1.53209 -0.57361 -2.00000 1.67098 -0.34730 -1.94609 -1.19432 1.00000 1.98648 0.57361 -1.53209 -1.78727 0.11629 1.87939 1.37248 -0.79216
|
||||
25 2.00000 -1.87939 1.53209 -1.00000 0.34730 0.34730 -1.00000 1.53209 -1.87939 2.00000 -1.87939 1.53209 -1.00000 0.34730 2.00000 -1.87939 -1.00000 0.34730 1.53209 2.00000 1.53209 0.34730 -1.00000 -1.87939 -1.87939 -1.00000 0.34730 1.53209
|
||||
26 2.00000 -1.87939 1.53209 -1.00000 0.34730 0.34730 -1.00000 1.53209 -1.87939 2.00000 -1.87939 1.53209 -1.00000 0.34730 -2.00000 1.87939 1.00000 -0.34730 -1.53209 -2.00000 -1.53209 -0.34730 1.00000 1.87939 1.87939 1.00000 -0.34730 -1.53209
|
||||
27 2.00000 -1.98648 1.94609 -1.87939 1.78727 -1.67098 1.53209 -1.37248 1.19432 -1.00000 0.79216 -0.57361 0.34730 -0.11629 2.00000 -1.98648 -1.87939 -1.67098 -1.37248 -1.00000 -0.57361 -0.11629 0.34730 0.79216 1.19432 1.53209 1.78727 1.94609
|
||||
28 2.00000 -1.98648 1.94609 -1.87939 1.78727 -1.67098 1.53209 -1.37248 1.19432 -1.00000 0.79216 -0.57361 0.34730 -0.11629 -2.00000 1.98648 1.87939 1.67098 1.37248 1.00000 0.57361 0.11629 -0.34730 -0.79216 -1.19432 -1.53209 -1.78727 -1.94609
|
||||
|
38
data/Symmetry/C27v
Normal file
38
data/Symmetry/C27v
Normal file
|
@ -0,0 +1,38 @@
|
|||
Group C27v
|
||||
n 15
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C27
|
||||
3 E1 C27^2
|
||||
4 E2 C9
|
||||
5 E3 C27^4
|
||||
6 E4 C27^5
|
||||
7 E5 C9^2
|
||||
8 E6 C27^7
|
||||
9 E7 C27^8
|
||||
10 E8 C3
|
||||
11 E9 C27^10
|
||||
12 E10 C27^11
|
||||
13 E11 C9^4
|
||||
14 E12 C27^13
|
||||
15 E13 sv
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.94609 1.78727 1.53209 1.19432 0.79216 0.34730 -0.11629 -0.57361 -1.00000 -1.37248 -1.67098 -1.87939 -1.98648 0.00000
|
||||
4 2.00000 1.78727 1.19432 0.34730 -0.57361 -1.37248 -1.87939 -1.98648 -1.67098 -1.00000 -0.11629 0.79216 1.53209 1.94609 0.00000
|
||||
5 2.00000 1.53209 0.34730 -1.00000 -1.87939 -1.87939 -1.00000 0.34730 1.53209 2.00000 1.53209 0.34730 -1.00000 -1.87939 0.00000
|
||||
6 2.00000 1.19432 -0.57361 -1.87939 -1.67098 -0.11629 1.53209 1.94609 0.79216 -1.00000 -1.98648 -1.37248 0.34730 1.78727 0.00000
|
||||
7 2.00000 0.79216 -1.37248 -1.87939 -0.11629 1.78727 1.53209 -0.57361 -1.98648 -1.00000 1.19432 1.94609 0.34730 -1.67098 0.00000
|
||||
8 2.00000 0.34730 -1.87939 -1.00000 1.53209 1.53209 -1.00000 -1.87939 0.34730 2.00000 0.34730 -1.87939 -1.00000 1.53209 0.00000
|
||||
9 2.00000 -0.11629 -1.98648 0.34730 1.94609 -0.57361 -1.87939 0.79216 1.78727 -1.00000 -1.67098 1.19432 1.53209 -1.37248 0.00000
|
||||
10 2.00000 -0.57361 -1.67098 1.53209 0.79216 -1.98648 0.34730 1.78727 -1.37248 -1.00000 1.94609 -0.11629 -1.87939 1.19432 0.00000
|
||||
11 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 0.00000
|
||||
12 2.00000 -1.37248 -0.11629 1.53209 -1.98648 1.19432 0.34730 -1.67098 1.94609 -1.00000 -0.57361 1.78727 -1.87939 0.79216 0.00000
|
||||
13 2.00000 -1.67098 0.79216 0.34730 -1.37248 1.94609 -1.87939 1.19432 -0.11629 -1.00000 1.78727 -1.98648 1.53209 -0.57361 0.00000
|
||||
14 2.00000 -1.87939 1.53209 -1.00000 0.34730 0.34730 -1.00000 1.53209 -1.87939 2.00000 -1.87939 1.53209 -1.00000 0.34730 0.00000
|
||||
15 2.00000 -1.98648 1.94609 -1.87939 1.78727 -1.67098 1.53209 -1.37248 1.19432 -1.00000 0.79216 -0.57361 0.34730 -0.11629 0.00000
|
||||
|
38
data/Symmetry/C28
Normal file
38
data/Symmetry/C28
Normal file
|
@ -0,0 +1,38 @@
|
|||
Group C28
|
||||
n 15
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 B C28
|
||||
3 E1 C14
|
||||
4 E2 C28^3
|
||||
5 E3 C7
|
||||
6 E4 C28^5
|
||||
7 E5 C14^3
|
||||
8 E6 C4
|
||||
9 E7 C7^2
|
||||
10 E8 C28^9
|
||||
11 E9 C14^5
|
||||
12 E10 C28^11
|
||||
13 E11 C7^3
|
||||
14 E12 C28^13
|
||||
15 E13 C2
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
3 2.00000 1.94986 1.80194 1.56366 1.24698 0.86777 0.44504 0.00000 -0.44504 -0.86777 -1.24698 -1.56366 -1.80194 -1.94986 -2.00000
|
||||
4 2.00000 1.80194 1.24698 0.44504 -0.44504 -1.24698 -1.80194 -2.00000 -1.80194 -1.24698 -0.44504 0.44504 1.24698 1.80194 2.00000
|
||||
5 2.00000 1.56366 0.44504 -0.86777 -1.80194 -1.94986 -1.24698 0.00000 1.24698 1.94986 1.80194 0.86777 -0.44504 -1.56366 -2.00000
|
||||
6 2.00000 1.24698 -0.44504 -1.80194 -1.80194 -0.44504 1.24698 2.00000 1.24698 -0.44504 -1.80194 -1.80194 -0.44504 1.24698 2.00000
|
||||
7 2.00000 0.86777 -1.24698 -1.94986 -0.44504 1.56366 1.80194 0.00000 -1.80194 -1.56366 0.44504 1.94986 1.24698 -0.86777 -2.00000
|
||||
8 2.00000 0.44504 -1.80194 -1.24698 1.24698 1.80194 -0.44504 -2.00000 -0.44504 1.80194 1.24698 -1.24698 -1.80194 0.44504 2.00000
|
||||
9 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000
|
||||
10 2.00000 -0.44504 -1.80194 1.24698 1.24698 -1.80194 -0.44504 2.00000 -0.44504 -1.80194 1.24698 1.24698 -1.80194 -0.44504 2.00000
|
||||
11 2.00000 -0.86777 -1.24698 1.94986 -0.44504 -1.56366 1.80194 0.00000 -1.80194 1.56366 0.44504 -1.94986 1.24698 0.86777 -2.00000
|
||||
12 2.00000 -1.24698 -0.44504 1.80194 -1.80194 0.44504 1.24698 -2.00000 1.24698 0.44504 -1.80194 1.80194 -0.44504 -1.24698 2.00000
|
||||
13 2.00000 -1.56366 0.44504 0.86777 -1.80194 1.94986 -1.24698 0.00000 1.24698 -1.94986 1.80194 -0.86777 -0.44504 1.56366 -2.00000
|
||||
14 2.00000 -1.80194 1.24698 -0.44504 -0.44504 1.24698 -1.80194 2.00000 -1.80194 1.24698 -0.44504 -0.44504 1.24698 -1.80194 2.00000
|
||||
15 2.00000 -1.94986 1.80194 -1.56366 1.24698 -0.86777 0.44504 0.00000 -0.44504 0.86777 -1.24698 1.56366 -1.80194 1.94986 -2.00000
|
||||
|
68
data/Symmetry/C28h
Normal file
68
data/Symmetry/C28h
Normal file
|
@ -0,0 +1,68 @@
|
|||
Group C28h
|
||||
n 30
|
||||
|
||||
Irred Operation
|
||||
1 Ag E
|
||||
2 Bg C28
|
||||
3 E1g C14
|
||||
4 E2g C28^3
|
||||
5 E3g C7
|
||||
6 E4g C28^5
|
||||
7 E5g C14^3
|
||||
8 E6g C4
|
||||
9 E7g C7^2
|
||||
10 E8g C28^9
|
||||
11 E9g C14^5
|
||||
12 E10g C28^11
|
||||
13 E11g C7^3
|
||||
14 E12g C28^13
|
||||
15 E13g C2
|
||||
16 Au i
|
||||
17 Bu S28
|
||||
18 E1u S14
|
||||
19 E2u S28^3
|
||||
20 E3u S7
|
||||
21 E4u S28^5
|
||||
22 E5u S14^3
|
||||
23 E6u S4
|
||||
24 E7u S7^2
|
||||
25 E8u S28^9
|
||||
26 E9u S14^5
|
||||
27 E10u S28^11
|
||||
28 E11u S7^3
|
||||
29 E12u S28^13
|
||||
30 E13u sh
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
3 2.00000 1.94986 1.80194 1.56366 1.24698 0.86777 0.44504 0.00000 -0.44504 -0.86777 -1.24698 -1.56366 -1.80194 -1.94986 -2.00000 2.00000 -1.94986 -1.80194 -1.56366 -1.24698 -0.86777 -0.44504 0.00000 0.44504 0.86777 1.24698 1.56366 1.80194 1.94986 -2.00000
|
||||
4 2.00000 1.80194 1.24698 0.44504 -0.44504 -1.24698 -1.80194 -2.00000 -1.80194 -1.24698 -0.44504 0.44504 1.24698 1.80194 2.00000 2.00000 1.80194 1.24698 0.44504 -0.44504 -1.24698 -1.80194 -2.00000 -1.80194 -1.24698 -0.44504 0.44504 1.24698 1.80194 2.00000
|
||||
5 2.00000 1.56366 0.44504 -0.86777 -1.80194 -1.94986 -1.24698 0.00000 1.24698 1.94986 1.80194 0.86777 -0.44504 -1.56366 -2.00000 2.00000 -1.56366 -0.44504 0.86777 1.80194 1.94986 1.24698 0.00000 -1.24698 -1.94986 -1.80194 -0.86777 0.44504 1.56366 -2.00000
|
||||
6 2.00000 1.24698 -0.44504 -1.80194 -1.80194 -0.44504 1.24698 2.00000 1.24698 -0.44504 -1.80194 -1.80194 -0.44504 1.24698 2.00000 2.00000 1.24698 -0.44504 -1.80194 -1.80194 -0.44504 1.24698 2.00000 1.24698 -0.44504 -1.80194 -1.80194 -0.44504 1.24698 2.00000
|
||||
7 2.00000 0.86777 -1.24698 -1.94986 -0.44504 1.56366 1.80194 0.00000 -1.80194 -1.56366 0.44504 1.94986 1.24698 -0.86777 -2.00000 2.00000 -0.86777 1.24698 1.94986 0.44504 -1.56366 -1.80194 0.00000 1.80194 1.56366 -0.44504 -1.94986 -1.24698 0.86777 -2.00000
|
||||
8 2.00000 0.44504 -1.80194 -1.24698 1.24698 1.80194 -0.44504 -2.00000 -0.44504 1.80194 1.24698 -1.24698 -1.80194 0.44504 2.00000 2.00000 0.44504 -1.80194 -1.24698 1.24698 1.80194 -0.44504 -2.00000 -0.44504 1.80194 1.24698 -1.24698 -1.80194 0.44504 2.00000
|
||||
9 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 -2.00000
|
||||
10 2.00000 -0.44504 -1.80194 1.24698 1.24698 -1.80194 -0.44504 2.00000 -0.44504 -1.80194 1.24698 1.24698 -1.80194 -0.44504 2.00000 2.00000 -0.44504 -1.80194 1.24698 1.24698 -1.80194 -0.44504 2.00000 -0.44504 -1.80194 1.24698 1.24698 -1.80194 -0.44504 2.00000
|
||||
11 2.00000 -0.86777 -1.24698 1.94986 -0.44504 -1.56366 1.80194 0.00000 -1.80194 1.56366 0.44504 -1.94986 1.24698 0.86777 -2.00000 2.00000 0.86777 1.24698 -1.94986 0.44504 1.56366 -1.80194 0.00000 1.80194 -1.56366 -0.44504 1.94986 -1.24698 -0.86777 -2.00000
|
||||
12 2.00000 -1.24698 -0.44504 1.80194 -1.80194 0.44504 1.24698 -2.00000 1.24698 0.44504 -1.80194 1.80194 -0.44504 -1.24698 2.00000 2.00000 -1.24698 -0.44504 1.80194 -1.80194 0.44504 1.24698 -2.00000 1.24698 0.44504 -1.80194 1.80194 -0.44504 -1.24698 2.00000
|
||||
13 2.00000 -1.56366 0.44504 0.86777 -1.80194 1.94986 -1.24698 0.00000 1.24698 -1.94986 1.80194 -0.86777 -0.44504 1.56366 -2.00000 2.00000 1.56366 -0.44504 -0.86777 1.80194 -1.94986 1.24698 0.00000 -1.24698 1.94986 -1.80194 0.86777 0.44504 -1.56366 -2.00000
|
||||
14 2.00000 -1.80194 1.24698 -0.44504 -0.44504 1.24698 -1.80194 2.00000 -1.80194 1.24698 -0.44504 -0.44504 1.24698 -1.80194 2.00000 2.00000 -1.80194 1.24698 -0.44504 -0.44504 1.24698 -1.80194 2.00000 -1.80194 1.24698 -0.44504 -0.44504 1.24698 -1.80194 2.00000
|
||||
15 2.00000 -1.94986 1.80194 -1.56366 1.24698 -0.86777 0.44504 0.00000 -0.44504 0.86777 -1.24698 1.56366 -1.80194 1.94986 -2.00000 2.00000 1.94986 -1.80194 1.56366 -1.24698 0.86777 -0.44504 0.00000 0.44504 -0.86777 1.24698 -1.56366 1.80194 -1.94986 -2.00000
|
||||
16 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
17 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
18 2.00000 1.94986 1.80194 1.56366 1.24698 0.86777 0.44504 0.00000 -0.44504 -0.86777 -1.24698 -1.56366 -1.80194 -1.94986 -2.00000 -2.00000 1.94986 1.80194 1.56366 1.24698 0.86777 0.44504 0.00000 -0.44504 -0.86777 -1.24698 -1.56366 -1.80194 -1.94986 2.00000
|
||||
19 2.00000 1.80194 1.24698 0.44504 -0.44504 -1.24698 -1.80194 -2.00000 -1.80194 -1.24698 -0.44504 0.44504 1.24698 1.80194 2.00000 -2.00000 -1.80194 -1.24698 -0.44504 0.44504 1.24698 1.80194 2.00000 1.80194 1.24698 0.44504 -0.44504 -1.24698 -1.80194 -2.00000
|
||||
20 2.00000 1.56366 0.44504 -0.86777 -1.80194 -1.94986 -1.24698 0.00000 1.24698 1.94986 1.80194 0.86777 -0.44504 -1.56366 -2.00000 -2.00000 1.56366 0.44504 -0.86777 -1.80194 -1.94986 -1.24698 0.00000 1.24698 1.94986 1.80194 0.86777 -0.44504 -1.56366 2.00000
|
||||
21 2.00000 1.24698 -0.44504 -1.80194 -1.80194 -0.44504 1.24698 2.00000 1.24698 -0.44504 -1.80194 -1.80194 -0.44504 1.24698 2.00000 -2.00000 -1.24698 0.44504 1.80194 1.80194 0.44504 -1.24698 -2.00000 -1.24698 0.44504 1.80194 1.80194 0.44504 -1.24698 -2.00000
|
||||
22 2.00000 0.86777 -1.24698 -1.94986 -0.44504 1.56366 1.80194 0.00000 -1.80194 -1.56366 0.44504 1.94986 1.24698 -0.86777 -2.00000 -2.00000 0.86777 -1.24698 -1.94986 -0.44504 1.56366 1.80194 0.00000 -1.80194 -1.56366 0.44504 1.94986 1.24698 -0.86777 2.00000
|
||||
23 2.00000 0.44504 -1.80194 -1.24698 1.24698 1.80194 -0.44504 -2.00000 -0.44504 1.80194 1.24698 -1.24698 -1.80194 0.44504 2.00000 -2.00000 -0.44504 1.80194 1.24698 -1.24698 -1.80194 0.44504 2.00000 0.44504 -1.80194 -1.24698 1.24698 1.80194 -0.44504 -2.00000
|
||||
24 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 -2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 2.00000
|
||||
25 2.00000 -0.44504 -1.80194 1.24698 1.24698 -1.80194 -0.44504 2.00000 -0.44504 -1.80194 1.24698 1.24698 -1.80194 -0.44504 2.00000 -2.00000 0.44504 1.80194 -1.24698 -1.24698 1.80194 0.44504 -2.00000 0.44504 1.80194 -1.24698 -1.24698 1.80194 0.44504 -2.00000
|
||||
26 2.00000 -0.86777 -1.24698 1.94986 -0.44504 -1.56366 1.80194 0.00000 -1.80194 1.56366 0.44504 -1.94986 1.24698 0.86777 -2.00000 -2.00000 -0.86777 -1.24698 1.94986 -0.44504 -1.56366 1.80194 0.00000 -1.80194 1.56366 0.44504 -1.94986 1.24698 0.86777 2.00000
|
||||
27 2.00000 -1.24698 -0.44504 1.80194 -1.80194 0.44504 1.24698 -2.00000 1.24698 0.44504 -1.80194 1.80194 -0.44504 -1.24698 2.00000 -2.00000 1.24698 0.44504 -1.80194 1.80194 -0.44504 -1.24698 2.00000 -1.24698 -0.44504 1.80194 -1.80194 0.44504 1.24698 -2.00000
|
||||
28 2.00000 -1.56366 0.44504 0.86777 -1.80194 1.94986 -1.24698 0.00000 1.24698 -1.94986 1.80194 -0.86777 -0.44504 1.56366 -2.00000 -2.00000 -1.56366 0.44504 0.86777 -1.80194 1.94986 -1.24698 0.00000 1.24698 -1.94986 1.80194 -0.86777 -0.44504 1.56366 2.00000
|
||||
29 2.00000 -1.80194 1.24698 -0.44504 -0.44504 1.24698 -1.80194 2.00000 -1.80194 1.24698 -0.44504 -0.44504 1.24698 -1.80194 2.00000 -2.00000 1.80194 -1.24698 0.44504 0.44504 -1.24698 1.80194 -2.00000 1.80194 -1.24698 0.44504 0.44504 -1.24698 1.80194 -2.00000
|
||||
30 2.00000 -1.94986 1.80194 -1.56366 1.24698 -0.86777 0.44504 0.00000 -0.44504 0.86777 -1.24698 1.56366 -1.80194 1.94986 -2.00000 -2.00000 -1.94986 1.80194 -1.56366 1.24698 -0.86777 0.44504 0.00000 -0.44504 0.86777 -1.24698 1.56366 -1.80194 1.94986 2.00000
|
||||
|
42
data/Symmetry/C28v
Normal file
42
data/Symmetry/C28v
Normal file
|
@ -0,0 +1,42 @@
|
|||
Group C28v
|
||||
n 17
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C28
|
||||
3 B1 C14
|
||||
4 B2 C28^3
|
||||
5 E1 C7
|
||||
6 E2 C28^5
|
||||
7 E3 C14^3
|
||||
8 E4 C4
|
||||
9 E5 C7^2
|
||||
10 E6 C28^9
|
||||
11 E7 C14^5
|
||||
12 E8 C28^11
|
||||
13 E9 C7^3
|
||||
14 E10 C28^13
|
||||
15 E11 C2
|
||||
16 E12 sv
|
||||
17 E13 sd
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000
|
||||
4 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
5 2.00000 1.94986 1.80194 1.56366 1.24698 0.86777 0.44504 0.00000 -0.44504 -0.86777 -1.24698 -1.56366 -1.80194 -1.94986 -2.00000 0.00000 0.00000
|
||||
6 2.00000 1.80194 1.24698 0.44504 -0.44504 -1.24698 -1.80194 -2.00000 -1.80194 -1.24698 -0.44504 0.44504 1.24698 1.80194 2.00000 0.00000 0.00000
|
||||
7 2.00000 1.56366 0.44504 -0.86777 -1.80194 -1.94986 -1.24698 0.00000 1.24698 1.94986 1.80194 0.86777 -0.44504 -1.56366 -2.00000 0.00000 0.00000
|
||||
8 2.00000 1.24698 -0.44504 -1.80194 -1.80194 -0.44504 1.24698 2.00000 1.24698 -0.44504 -1.80194 -1.80194 -0.44504 1.24698 2.00000 0.00000 0.00000
|
||||
9 2.00000 0.86777 -1.24698 -1.94986 -0.44504 1.56366 1.80194 0.00000 -1.80194 -1.56366 0.44504 1.94986 1.24698 -0.86777 -2.00000 0.00000 0.00000
|
||||
10 2.00000 0.44504 -1.80194 -1.24698 1.24698 1.80194 -0.44504 -2.00000 -0.44504 1.80194 1.24698 -1.24698 -1.80194 0.44504 2.00000 0.00000 0.00000
|
||||
11 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 0.00000
|
||||
12 2.00000 -0.44504 -1.80194 1.24698 1.24698 -1.80194 -0.44504 2.00000 -0.44504 -1.80194 1.24698 1.24698 -1.80194 -0.44504 2.00000 0.00000 0.00000
|
||||
13 2.00000 -0.86777 -1.24698 1.94986 -0.44504 -1.56366 1.80194 0.00000 -1.80194 1.56366 0.44504 -1.94986 1.24698 0.86777 -2.00000 0.00000 0.00000
|
||||
14 2.00000 -1.24698 -0.44504 1.80194 -1.80194 0.44504 1.24698 -2.00000 1.24698 0.44504 -1.80194 1.80194 -0.44504 -1.24698 2.00000 0.00000 0.00000
|
||||
15 2.00000 -1.56366 0.44504 0.86777 -1.80194 1.94986 -1.24698 0.00000 1.24698 -1.94986 1.80194 -0.86777 -0.44504 1.56366 -2.00000 0.00000 0.00000
|
||||
16 2.00000 -1.80194 1.24698 -0.44504 -0.44504 1.24698 -1.80194 2.00000 -1.80194 1.24698 -0.44504 -0.44504 1.24698 -1.80194 2.00000 0.00000 0.00000
|
||||
17 2.00000 -1.94986 1.80194 -1.56366 1.24698 -0.86777 0.44504 0.00000 -0.44504 0.86777 -1.24698 1.56366 -1.80194 1.94986 -2.00000 0.00000 0.00000
|
||||
|
38
data/Symmetry/C29
Normal file
38
data/Symmetry/C29
Normal file
|
@ -0,0 +1,38 @@
|
|||
Group C29
|
||||
n 15
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 E1 C29
|
||||
3 E2 C29^2
|
||||
4 E3 C29^3
|
||||
5 E4 C29^4
|
||||
6 E5 C29^5
|
||||
7 E6 C29^6
|
||||
8 E7 C29^7
|
||||
9 E8 C29^8
|
||||
10 E9 C29^9
|
||||
11 E10 C29^10
|
||||
12 E11 C29^11
|
||||
13 E12 C29^12
|
||||
14 E13 C29^13
|
||||
15 E14 C29^14
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 2.00000 1.95324 1.81515 1.59219 1.29477 0.93682 0.53506 0.10828 -0.32356 -0.74028 -1.12237 -1.45199 -1.71371 -1.89531 -1.98828
|
||||
3 2.00000 1.81515 1.29477 0.53506 -0.32356 -1.12237 -1.71371 -1.98828 -1.89531 -1.45199 -0.74028 0.10828 0.93682 1.59219 1.95324
|
||||
4 2.00000 1.59219 0.53506 -0.74028 -1.71371 -1.98828 -1.45199 -0.32356 0.93682 1.81515 1.95324 1.29477 0.10828 -1.12237 -1.89531
|
||||
5 2.00000 1.29477 -0.32356 -1.71371 -1.89531 -0.74028 0.93682 1.95324 1.59219 0.10828 -1.45199 -1.98828 -1.12237 0.53506 1.81515
|
||||
6 2.00000 0.93682 -1.12237 -1.98828 -0.74028 1.29477 1.95324 0.53506 -1.45199 -1.89531 -0.32356 1.59219 1.81515 0.10828 -1.71371
|
||||
7 2.00000 0.53506 -1.71371 -1.45199 0.93682 1.95324 0.10828 -1.89531 -1.12237 1.29477 1.81515 -0.32356 -1.98828 -0.74028 1.59219
|
||||
8 2.00000 0.10828 -1.98828 -0.32356 1.95324 0.53506 -1.89531 -0.74028 1.81515 0.93682 -1.71371 -1.12237 1.59219 1.29477 -1.45199
|
||||
9 2.00000 -0.32356 -1.89531 0.93682 1.59219 -1.45199 -1.12237 1.81515 0.53506 -1.98828 0.10828 1.95324 -0.74028 -1.71371 1.29477
|
||||
10 2.00000 -0.74028 -1.45199 1.81515 0.10828 -1.89531 1.29477 0.93682 -1.98828 0.53506 1.59219 -1.71371 -0.32356 1.95324 -1.12237
|
||||
11 2.00000 -1.12237 -0.74028 1.95324 -1.45199 -0.32356 1.81515 -1.71371 0.10828 1.59219 -1.89531 0.53506 1.29477 -1.98828 0.93682
|
||||
12 2.00000 -1.45199 0.10828 1.29477 -1.98828 1.59219 -0.32356 -1.12237 1.95324 -1.71371 0.53506 0.93682 -1.89531 1.81515 -0.74028
|
||||
13 2.00000 -1.71371 0.93682 0.10828 -1.12237 1.81515 -1.98828 1.59219 -0.74028 -0.32356 1.29477 -1.89531 1.95324 -1.45199 0.53506
|
||||
14 2.00000 -1.89531 1.59219 -1.12237 0.53506 0.10828 -0.74028 1.29477 -1.71371 1.95324 -1.98828 1.81515 -1.45199 0.93682 -0.32356
|
||||
15 2.00000 -1.98828 1.95324 -1.89531 1.81515 -1.71371 1.59219 -1.45199 1.29477 -1.12237 0.93682 -0.74028 0.53506 -0.32356 0.10828
|
||||
|
68
data/Symmetry/C29h
Normal file
68
data/Symmetry/C29h
Normal file
|
@ -0,0 +1,68 @@
|
|||
Group C29h
|
||||
n 30
|
||||
|
||||
Irred Operation
|
||||
1 A' E
|
||||
2 A" C29
|
||||
3 E1' C29^2
|
||||
4 E1" C29^3
|
||||
5 E2' C29^4
|
||||
6 E2" C29^5
|
||||
7 E3' C29^6
|
||||
8 E3" C29^7
|
||||
9 E4' C29^8
|
||||
10 E4" C29^9
|
||||
11 E5' C29^10
|
||||
12 E5" C29^11
|
||||
13 E6' C29^12
|
||||
14 E6" C29^13
|
||||
15 E7' C29^14
|
||||
16 E7" sh
|
||||
17 E8' S29
|
||||
18 E8" S29^3
|
||||
19 E9' S29^5
|
||||
20 E9" S29^7
|
||||
21 E10' S29^9
|
||||
22 E10" S29^11
|
||||
23 E11' S29^13
|
||||
24 E11" S29^15
|
||||
25 E12' S29^17
|
||||
26 E12" S29^19
|
||||
27 E13' S29^21
|
||||
28 E13" S29^23
|
||||
29 E14' S29^25
|
||||
30 E14" S29^27
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.95324 1.81515 1.59219 1.29477 0.93682 0.53506 0.10828 -0.32356 -0.74028 -1.12237 -1.45199 -1.71371 -1.89531 -1.98828 2.00000 1.95324 1.59219 0.93682 0.10828 -0.74028 -1.45199 -1.89531 -1.98828 -1.71371 -1.12237 -0.32356 0.53506 1.29477 1.81515
|
||||
4 2.00000 1.95324 1.81515 1.59219 1.29477 0.93682 0.53506 0.10828 -0.32356 -0.74028 -1.12237 -1.45199 -1.71371 -1.89531 -1.98828 -2.00000 -1.95324 -1.59219 -0.93682 -0.10828 0.74028 1.45199 1.89531 1.98828 1.71371 1.12237 0.32356 -0.53506 -1.29477 -1.81515
|
||||
5 2.00000 1.81515 1.29477 0.53506 -0.32356 -1.12237 -1.71371 -1.98828 -1.89531 -1.45199 -0.74028 0.10828 0.93682 1.59219 1.95324 2.00000 1.81515 0.53506 -1.12237 -1.98828 -1.45199 0.10828 1.59219 1.95324 0.93682 -0.74028 -1.89531 -1.71371 -0.32356 1.29477
|
||||
6 2.00000 1.81515 1.29477 0.53506 -0.32356 -1.12237 -1.71371 -1.98828 -1.89531 -1.45199 -0.74028 0.10828 0.93682 1.59219 1.95324 -2.00000 -1.81515 -0.53506 1.12237 1.98828 1.45199 -0.10828 -1.59219 -1.95324 -0.93682 0.74028 1.89531 1.71371 0.32356 -1.29477
|
||||
7 2.00000 1.59219 0.53506 -0.74028 -1.71371 -1.98828 -1.45199 -0.32356 0.93682 1.81515 1.95324 1.29477 0.10828 -1.12237 -1.89531 2.00000 1.59219 -0.74028 -1.98828 -0.32356 1.81515 1.29477 -1.12237 -1.89531 0.10828 1.95324 0.93682 -1.45199 -1.71371 0.53506
|
||||
8 2.00000 1.59219 0.53506 -0.74028 -1.71371 -1.98828 -1.45199 -0.32356 0.93682 1.81515 1.95324 1.29477 0.10828 -1.12237 -1.89531 -2.00000 -1.59219 0.74028 1.98828 0.32356 -1.81515 -1.29477 1.12237 1.89531 -0.10828 -1.95324 -0.93682 1.45199 1.71371 -0.53506
|
||||
9 2.00000 1.29477 -0.32356 -1.71371 -1.89531 -0.74028 0.93682 1.95324 1.59219 0.10828 -1.45199 -1.98828 -1.12237 0.53506 1.81515 2.00000 1.29477 -1.71371 -0.74028 1.95324 0.10828 -1.98828 0.53506 1.81515 -1.12237 -1.45199 1.59219 0.93682 -1.89531 -0.32356
|
||||
10 2.00000 1.29477 -0.32356 -1.71371 -1.89531 -0.74028 0.93682 1.95324 1.59219 0.10828 -1.45199 -1.98828 -1.12237 0.53506 1.81515 -2.00000 -1.29477 1.71371 0.74028 -1.95324 -0.10828 1.98828 -0.53506 -1.81515 1.12237 1.45199 -1.59219 -0.93682 1.89531 0.32356
|
||||
11 2.00000 0.93682 -1.12237 -1.98828 -0.74028 1.29477 1.95324 0.53506 -1.45199 -1.89531 -0.32356 1.59219 1.81515 0.10828 -1.71371 2.00000 0.93682 -1.98828 1.29477 0.53506 -1.89531 1.59219 0.10828 -1.71371 1.81515 -0.32356 -1.45199 1.95324 -0.74028 -1.12237
|
||||
12 2.00000 0.93682 -1.12237 -1.98828 -0.74028 1.29477 1.95324 0.53506 -1.45199 -1.89531 -0.32356 1.59219 1.81515 0.10828 -1.71371 -2.00000 -0.93682 1.98828 -1.29477 -0.53506 1.89531 -1.59219 -0.10828 1.71371 -1.81515 0.32356 1.45199 -1.95324 0.74028 1.12237
|
||||
13 2.00000 0.53506 -1.71371 -1.45199 0.93682 1.95324 0.10828 -1.89531 -1.12237 1.29477 1.81515 -0.32356 -1.98828 -0.74028 1.59219 2.00000 0.53506 -1.45199 1.95324 -1.89531 1.29477 -0.32356 -0.74028 1.59219 -1.98828 1.81515 -1.12237 0.10828 0.93682 -1.71371
|
||||
14 2.00000 0.53506 -1.71371 -1.45199 0.93682 1.95324 0.10828 -1.89531 -1.12237 1.29477 1.81515 -0.32356 -1.98828 -0.74028 1.59219 -2.00000 -0.53506 1.45199 -1.95324 1.89531 -1.29477 0.32356 0.74028 -1.59219 1.98828 -1.81515 1.12237 -0.10828 -0.93682 1.71371
|
||||
15 2.00000 0.10828 -1.98828 -0.32356 1.95324 0.53506 -1.89531 -0.74028 1.81515 0.93682 -1.71371 -1.12237 1.59219 1.29477 -1.45199 2.00000 0.10828 -0.32356 0.53506 -0.74028 0.93682 -1.12237 1.29477 -1.45199 1.59219 -1.71371 1.81515 -1.89531 1.95324 -1.98828
|
||||
16 2.00000 0.10828 -1.98828 -0.32356 1.95324 0.53506 -1.89531 -0.74028 1.81515 0.93682 -1.71371 -1.12237 1.59219 1.29477 -1.45199 -2.00000 -0.10828 0.32356 -0.53506 0.74028 -0.93682 1.12237 -1.29477 1.45199 -1.59219 1.71371 -1.81515 1.89531 -1.95324 1.98828
|
||||
17 2.00000 -0.32356 -1.89531 0.93682 1.59219 -1.45199 -1.12237 1.81515 0.53506 -1.98828 0.10828 1.95324 -0.74028 -1.71371 1.29477 2.00000 -0.32356 0.93682 -1.45199 1.81515 -1.98828 1.95324 -1.71371 1.29477 -0.74028 0.10828 0.53506 -1.12237 1.59219 -1.89531
|
||||
18 2.00000 -0.32356 -1.89531 0.93682 1.59219 -1.45199 -1.12237 1.81515 0.53506 -1.98828 0.10828 1.95324 -0.74028 -1.71371 1.29477 -2.00000 0.32356 -0.93682 1.45199 -1.81515 1.98828 -1.95324 1.71371 -1.29477 0.74028 -0.10828 -0.53506 1.12237 -1.59219 1.89531
|
||||
19 2.00000 -0.74028 -1.45199 1.81515 0.10828 -1.89531 1.29477 0.93682 -1.98828 0.53506 1.59219 -1.71371 -0.32356 1.95324 -1.12237 2.00000 -0.74028 1.81515 -1.89531 0.93682 0.53506 -1.71371 1.95324 -1.12237 -0.32356 1.59219 -1.98828 1.29477 0.10828 -1.45199
|
||||
20 2.00000 -0.74028 -1.45199 1.81515 0.10828 -1.89531 1.29477 0.93682 -1.98828 0.53506 1.59219 -1.71371 -0.32356 1.95324 -1.12237 -2.00000 0.74028 -1.81515 1.89531 -0.93682 -0.53506 1.71371 -1.95324 1.12237 0.32356 -1.59219 1.98828 -1.29477 -0.10828 1.45199
|
||||
21 2.00000 -1.12237 -0.74028 1.95324 -1.45199 -0.32356 1.81515 -1.71371 0.10828 1.59219 -1.89531 0.53506 1.29477 -1.98828 0.93682 2.00000 -1.12237 1.95324 -0.32356 -1.71371 1.59219 0.53506 -1.98828 0.93682 1.29477 -1.89531 0.10828 1.81515 -1.45199 -0.74028
|
||||
22 2.00000 -1.12237 -0.74028 1.95324 -1.45199 -0.32356 1.81515 -1.71371 0.10828 1.59219 -1.89531 0.53506 1.29477 -1.98828 0.93682 -2.00000 1.12237 -1.95324 0.32356 1.71371 -1.59219 -0.53506 1.98828 -0.93682 -1.29477 1.89531 -0.10828 -1.81515 1.45199 0.74028
|
||||
23 2.00000 -1.45199 0.10828 1.29477 -1.98828 1.59219 -0.32356 -1.12237 1.95324 -1.71371 0.53506 0.93682 -1.89531 1.81515 -0.74028 2.00000 -1.45199 1.29477 1.59219 -1.12237 -1.71371 0.93682 1.81515 -0.74028 -1.89531 0.53506 1.95324 -0.32356 -1.98828 0.10828
|
||||
24 2.00000 -1.45199 0.10828 1.29477 -1.98828 1.59219 -0.32356 -1.12237 1.95324 -1.71371 0.53506 0.93682 -1.89531 1.81515 -0.74028 -2.00000 1.45199 -1.29477 -1.59219 1.12237 1.71371 -0.93682 -1.81515 0.74028 1.89531 -0.53506 -1.95324 0.32356 1.98828 -0.10828
|
||||
25 2.00000 -1.71371 0.93682 0.10828 -1.12237 1.81515 -1.98828 1.59219 -0.74028 -0.32356 1.29477 -1.89531 1.95324 -1.45199 0.53506 2.00000 -1.71371 0.10828 1.81515 1.59219 -0.32356 -1.89531 -1.45199 0.53506 1.95324 1.29477 -0.74028 -1.98828 -1.12237 0.93682
|
||||
26 2.00000 -1.71371 0.93682 0.10828 -1.12237 1.81515 -1.98828 1.59219 -0.74028 -0.32356 1.29477 -1.89531 1.95324 -1.45199 0.53506 -2.00000 1.71371 -0.10828 -1.81515 -1.59219 0.32356 1.89531 1.45199 -0.53506 -1.95324 -1.29477 0.74028 1.98828 1.12237 -0.93682
|
||||
27 2.00000 -1.89531 1.59219 -1.12237 0.53506 0.10828 -0.74028 1.29477 -1.71371 1.95324 -1.98828 1.81515 -1.45199 0.93682 -0.32356 2.00000 -1.89531 -1.12237 0.10828 1.29477 1.95324 1.81515 0.93682 -0.32356 -1.45199 -1.98828 -1.71371 -0.74028 0.53506 1.59219
|
||||
28 2.00000 -1.89531 1.59219 -1.12237 0.53506 0.10828 -0.74028 1.29477 -1.71371 1.95324 -1.98828 1.81515 -1.45199 0.93682 -0.32356 -2.00000 1.89531 1.12237 -0.10828 -1.29477 -1.95324 -1.81515 -0.93682 0.32356 1.45199 1.98828 1.71371 0.74028 -0.53506 -1.59219
|
||||
29 2.00000 -1.98828 1.95324 -1.89531 1.81515 -1.71371 1.59219 -1.45199 1.29477 -1.12237 0.93682 -0.74028 0.53506 -0.32356 0.10828 2.00000 -1.98828 -1.89531 -1.71371 -1.45199 -1.12237 -0.74028 -0.32356 0.10828 0.53506 0.93682 1.29477 1.59219 1.81515 1.95324
|
||||
30 2.00000 -1.98828 1.95324 -1.89531 1.81515 -1.71371 1.59219 -1.45199 1.29477 -1.12237 0.93682 -0.74028 0.53506 -0.32356 0.10828 -2.00000 1.98828 1.89531 1.71371 1.45199 1.12237 0.74028 0.32356 -0.10828 -0.53506 -0.93682 -1.29477 -1.59219 -1.81515 -1.95324
|
||||
|
40
data/Symmetry/C29v
Normal file
40
data/Symmetry/C29v
Normal file
|
@ -0,0 +1,40 @@
|
|||
Group C29v
|
||||
n 16
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C29
|
||||
3 E1 C29^2
|
||||
4 E2 C29^3
|
||||
5 E3 C29^4
|
||||
6 E4 C29^5
|
||||
7 E5 C29^6
|
||||
8 E6 C29^7
|
||||
9 E7 C29^8
|
||||
10 E8 C29^9
|
||||
11 E9 C29^10
|
||||
12 E10 C29^11
|
||||
13 E11 C29^12
|
||||
14 E12 C29^13
|
||||
15 E13 C29^14
|
||||
16 E14 sv
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.95324 1.81515 1.59219 1.29477 0.93682 0.53506 0.10828 -0.32356 -0.74028 -1.12237 -1.45199 -1.71371 -1.89531 -1.98828 0.00000
|
||||
4 2.00000 1.81515 1.29477 0.53506 -0.32356 -1.12237 -1.71371 -1.98828 -1.89531 -1.45199 -0.74028 0.10828 0.93682 1.59219 1.95324 0.00000
|
||||
5 2.00000 1.59219 0.53506 -0.74028 -1.71371 -1.98828 -1.45199 -0.32356 0.93682 1.81515 1.95324 1.29477 0.10828 -1.12237 -1.89531 0.00000
|
||||
6 2.00000 1.29477 -0.32356 -1.71371 -1.89531 -0.74028 0.93682 1.95324 1.59219 0.10828 -1.45199 -1.98828 -1.12237 0.53506 1.81515 0.00000
|
||||
7 2.00000 0.93682 -1.12237 -1.98828 -0.74028 1.29477 1.95324 0.53506 -1.45199 -1.89531 -0.32356 1.59219 1.81515 0.10828 -1.71371 0.00000
|
||||
8 2.00000 0.53506 -1.71371 -1.45199 0.93682 1.95324 0.10828 -1.89531 -1.12237 1.29477 1.81515 -0.32356 -1.98828 -0.74028 1.59219 0.00000
|
||||
9 2.00000 0.10828 -1.98828 -0.32356 1.95324 0.53506 -1.89531 -0.74028 1.81515 0.93682 -1.71371 -1.12237 1.59219 1.29477 -1.45199 0.00000
|
||||
10 2.00000 -0.32356 -1.89531 0.93682 1.59219 -1.45199 -1.12237 1.81515 0.53506 -1.98828 0.10828 1.95324 -0.74028 -1.71371 1.29477 0.00000
|
||||
11 2.00000 -0.74028 -1.45199 1.81515 0.10828 -1.89531 1.29477 0.93682 -1.98828 0.53506 1.59219 -1.71371 -0.32356 1.95324 -1.12237 0.00000
|
||||
12 2.00000 -1.12237 -0.74028 1.95324 -1.45199 -0.32356 1.81515 -1.71371 0.10828 1.59219 -1.89531 0.53506 1.29477 -1.98828 0.93682 0.00000
|
||||
13 2.00000 -1.45199 0.10828 1.29477 -1.98828 1.59219 -0.32356 -1.12237 1.95324 -1.71371 0.53506 0.93682 -1.89531 1.81515 -0.74028 0.00000
|
||||
14 2.00000 -1.71371 0.93682 0.10828 -1.12237 1.81515 -1.98828 1.59219 -0.74028 -0.32356 1.29477 -1.89531 1.95324 -1.45199 0.53506 0.00000
|
||||
15 2.00000 -1.89531 1.59219 -1.12237 0.53506 0.10828 -0.74028 1.29477 -1.71371 1.95324 -1.98828 1.81515 -1.45199 0.93682 -0.32356 0.00000
|
||||
16 2.00000 -1.98828 1.95324 -1.89531 1.81515 -1.71371 1.59219 -1.45199 1.29477 -1.12237 0.93682 -0.74028 0.53506 -0.32356 0.10828 0.00000
|
||||
|
16
data/Symmetry/C2h
Normal file
16
data/Symmetry/C2h
Normal file
|
@ -0,0 +1,16 @@
|
|||
Group C2h
|
||||
n 4
|
||||
|
||||
Irred Operation
|
||||
1 Ag E
|
||||
2 Bg C2
|
||||
3 Au i
|
||||
4 Bu sh
|
||||
|
||||
Table
|
||||
1 2 3 4
|
||||
1 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000
|
||||
3 1.00000 1.00000 -1.00000 -1.00000
|
||||
4 1.00000 -1.00000 -1.00000 1.00000
|
||||
|
16
data/Symmetry/C2v
Normal file
16
data/Symmetry/C2v
Normal file
|
@ -0,0 +1,16 @@
|
|||
Group C2v
|
||||
n 4
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C2
|
||||
3 B1 sv
|
||||
4 B2 sd
|
||||
|
||||
Table
|
||||
1 2 3 4
|
||||
1 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 1.00000 -1.00000 1.00000 -1.00000
|
||||
4 1.00000 -1.00000 -1.00000 1.00000
|
||||
|
12
data/Symmetry/C3
Normal file
12
data/Symmetry/C3
Normal file
|
@ -0,0 +1,12 @@
|
|||
Group C3
|
||||
n 2
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 E C3
|
||||
|
||||
Table
|
||||
1 2
|
||||
1 1.00000 1.00000
|
||||
2 2.00000 -1.00000
|
||||
|
40
data/Symmetry/C30
Normal file
40
data/Symmetry/C30
Normal file
|
@ -0,0 +1,40 @@
|
|||
Group C30
|
||||
n 16
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 B C30
|
||||
3 E1 C15
|
||||
4 E2 C10
|
||||
5 E3 C15^2
|
||||
6 E4 C6
|
||||
7 E5 C5
|
||||
8 E6 C30^7
|
||||
9 E7 C15^4
|
||||
10 E8 C10^3
|
||||
11 E9 C3
|
||||
12 E10 C30^11
|
||||
13 E11 C5^2
|
||||
14 E12 C30^13
|
||||
15 E13 C15^7
|
||||
16 E14 C2
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.95630 1.82709 1.61803 1.33826 1.00000 0.61803 0.20906 -0.20906 -0.61803 -1.00000 -1.33826 -1.61803 -1.82709 -1.95630 -2.00000
|
||||
4 2.00000 1.82709 1.33826 0.61803 -0.20906 -1.00000 -1.61803 -1.95630 -1.95630 -1.61803 -1.00000 -0.20906 0.61803 1.33826 1.82709 2.00000
|
||||
5 2.00000 1.61803 0.61803 -0.61803 -1.61803 -2.00000 -1.61803 -0.61803 0.61803 1.61803 2.00000 1.61803 0.61803 -0.61803 -1.61803 -2.00000
|
||||
6 2.00000 1.33826 -0.20906 -1.61803 -1.95630 -1.00000 0.61803 1.82709 1.82709 0.61803 -1.00000 -1.95630 -1.61803 -0.20906 1.33826 2.00000
|
||||
7 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000
|
||||
8 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000
|
||||
9 2.00000 0.20906 -1.95630 -0.61803 1.82709 1.00000 -1.61803 -1.33826 1.33826 1.61803 -1.00000 -1.82709 0.61803 1.95630 -0.20906 -2.00000
|
||||
10 2.00000 -0.20906 -1.95630 0.61803 1.82709 -1.00000 -1.61803 1.33826 1.33826 -1.61803 -1.00000 1.82709 0.61803 -1.95630 -0.20906 2.00000
|
||||
11 2.00000 -0.61803 -1.61803 1.61803 0.61803 -2.00000 0.61803 1.61803 -1.61803 -0.61803 2.00000 -0.61803 -1.61803 1.61803 0.61803 -2.00000
|
||||
12 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000
|
||||
13 2.00000 -1.33826 -0.20906 1.61803 -1.95630 1.00000 0.61803 -1.82709 1.82709 -0.61803 -1.00000 1.95630 -1.61803 0.20906 1.33826 -2.00000
|
||||
14 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000
|
||||
15 2.00000 -1.82709 1.33826 -0.61803 -0.20906 1.00000 -1.61803 1.95630 -1.95630 1.61803 -1.00000 0.20906 0.61803 -1.33826 1.82709 -2.00000
|
||||
16 2.00000 -1.95630 1.82709 -1.61803 1.33826 -1.00000 0.61803 -0.20906 -0.20906 0.61803 -1.00000 1.33826 -1.61803 1.82709 -1.95630 2.00000
|
||||
|
72
data/Symmetry/C30h
Normal file
72
data/Symmetry/C30h
Normal file
|
@ -0,0 +1,72 @@
|
|||
Group C30h
|
||||
n 32
|
||||
|
||||
Irred Operation
|
||||
1 Ag E
|
||||
2 Bg C30
|
||||
3 E1g C15
|
||||
4 E2g C10
|
||||
5 E3g C15^2
|
||||
6 E4g C6
|
||||
7 E5g C5
|
||||
8 E6g C30^7
|
||||
9 E7g C15^4
|
||||
10 E8g C10^3
|
||||
11 E9g C3
|
||||
12 E10g C30^11
|
||||
13 E11g C5^2
|
||||
14 E12g C30^13
|
||||
15 E13g C15^7
|
||||
16 E14g C2
|
||||
17 Au i
|
||||
18 Bu S30
|
||||
19 E1u S15
|
||||
20 E2u S10
|
||||
21 E3u S15^2
|
||||
22 E4u S6
|
||||
23 E5u S5
|
||||
24 E6u S30^7
|
||||
25 E7u S15^4
|
||||
26 E8u S10^3
|
||||
27 E9u S3
|
||||
28 E10u S30^11
|
||||
29 E11u S5^2
|
||||
30 E12u S30^13
|
||||
31 E13u S15^7
|
||||
32 E14u sh
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.95630 1.82709 1.61803 1.33826 1.00000 0.61803 0.20906 -0.20906 -0.61803 -1.00000 -1.33826 -1.61803 -1.82709 -1.95630 -2.00000 2.00000 -1.95630 -1.82709 -1.61803 -1.33826 -1.00000 -0.61803 -0.20906 0.20906 0.61803 1.00000 1.33826 1.61803 1.82709 1.95630 -2.00000
|
||||
4 2.00000 1.82709 1.33826 0.61803 -0.20906 -1.00000 -1.61803 -1.95630 -1.95630 -1.61803 -1.00000 -0.20906 0.61803 1.33826 1.82709 2.00000 2.00000 1.82709 1.33826 0.61803 -0.20906 -1.00000 -1.61803 -1.95630 -1.95630 -1.61803 -1.00000 -0.20906 0.61803 1.33826 1.82709 2.00000
|
||||
5 2.00000 1.61803 0.61803 -0.61803 -1.61803 -2.00000 -1.61803 -0.61803 0.61803 1.61803 2.00000 1.61803 0.61803 -0.61803 -1.61803 -2.00000 2.00000 -1.61803 -0.61803 0.61803 1.61803 2.00000 1.61803 0.61803 -0.61803 -1.61803 -2.00000 -1.61803 -0.61803 0.61803 1.61803 -2.00000
|
||||
6 2.00000 1.33826 -0.20906 -1.61803 -1.95630 -1.00000 0.61803 1.82709 1.82709 0.61803 -1.00000 -1.95630 -1.61803 -0.20906 1.33826 2.00000 2.00000 1.33826 -0.20906 -1.61803 -1.95630 -1.00000 0.61803 1.82709 1.82709 0.61803 -1.00000 -1.95630 -1.61803 -0.20906 1.33826 2.00000
|
||||
7 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 -2.00000
|
||||
8 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000
|
||||
9 2.00000 0.20906 -1.95630 -0.61803 1.82709 1.00000 -1.61803 -1.33826 1.33826 1.61803 -1.00000 -1.82709 0.61803 1.95630 -0.20906 -2.00000 2.00000 -0.20906 1.95630 0.61803 -1.82709 -1.00000 1.61803 1.33826 -1.33826 -1.61803 1.00000 1.82709 -0.61803 -1.95630 0.20906 -2.00000
|
||||
10 2.00000 -0.20906 -1.95630 0.61803 1.82709 -1.00000 -1.61803 1.33826 1.33826 -1.61803 -1.00000 1.82709 0.61803 -1.95630 -0.20906 2.00000 2.00000 -0.20906 -1.95630 0.61803 1.82709 -1.00000 -1.61803 1.33826 1.33826 -1.61803 -1.00000 1.82709 0.61803 -1.95630 -0.20906 2.00000
|
||||
11 2.00000 -0.61803 -1.61803 1.61803 0.61803 -2.00000 0.61803 1.61803 -1.61803 -0.61803 2.00000 -0.61803 -1.61803 1.61803 0.61803 -2.00000 2.00000 0.61803 1.61803 -1.61803 -0.61803 2.00000 -0.61803 -1.61803 1.61803 0.61803 -2.00000 0.61803 1.61803 -1.61803 -0.61803 -2.00000
|
||||
12 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000
|
||||
13 2.00000 -1.33826 -0.20906 1.61803 -1.95630 1.00000 0.61803 -1.82709 1.82709 -0.61803 -1.00000 1.95630 -1.61803 0.20906 1.33826 -2.00000 2.00000 1.33826 0.20906 -1.61803 1.95630 -1.00000 -0.61803 1.82709 -1.82709 0.61803 1.00000 -1.95630 1.61803 -0.20906 -1.33826 -2.00000
|
||||
14 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000
|
||||
15 2.00000 -1.82709 1.33826 -0.61803 -0.20906 1.00000 -1.61803 1.95630 -1.95630 1.61803 -1.00000 0.20906 0.61803 -1.33826 1.82709 -2.00000 2.00000 1.82709 -1.33826 0.61803 0.20906 -1.00000 1.61803 -1.95630 1.95630 -1.61803 1.00000 -0.20906 -0.61803 1.33826 -1.82709 -2.00000
|
||||
16 2.00000 -1.95630 1.82709 -1.61803 1.33826 -1.00000 0.61803 -0.20906 -0.20906 0.61803 -1.00000 1.33826 -1.61803 1.82709 -1.95630 2.00000 2.00000 -1.95630 1.82709 -1.61803 1.33826 -1.00000 0.61803 -0.20906 -0.20906 0.61803 -1.00000 1.33826 -1.61803 1.82709 -1.95630 2.00000
|
||||
17 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
18 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000
|
||||
19 2.00000 1.95630 1.82709 1.61803 1.33826 1.00000 0.61803 0.20906 -0.20906 -0.61803 -1.00000 -1.33826 -1.61803 -1.82709 -1.95630 -2.00000 -2.00000 1.95630 1.82709 1.61803 1.33826 1.00000 0.61803 0.20906 -0.20906 -0.61803 -1.00000 -1.33826 -1.61803 -1.82709 -1.95630 2.00000
|
||||
20 2.00000 1.82709 1.33826 0.61803 -0.20906 -1.00000 -1.61803 -1.95630 -1.95630 -1.61803 -1.00000 -0.20906 0.61803 1.33826 1.82709 2.00000 -2.00000 -1.82709 -1.33826 -0.61803 0.20906 1.00000 1.61803 1.95630 1.95630 1.61803 1.00000 0.20906 -0.61803 -1.33826 -1.82709 -2.00000
|
||||
21 2.00000 1.61803 0.61803 -0.61803 -1.61803 -2.00000 -1.61803 -0.61803 0.61803 1.61803 2.00000 1.61803 0.61803 -0.61803 -1.61803 -2.00000 -2.00000 1.61803 0.61803 -0.61803 -1.61803 -2.00000 -1.61803 -0.61803 0.61803 1.61803 2.00000 1.61803 0.61803 -0.61803 -1.61803 2.00000
|
||||
22 2.00000 1.33826 -0.20906 -1.61803 -1.95630 -1.00000 0.61803 1.82709 1.82709 0.61803 -1.00000 -1.95630 -1.61803 -0.20906 1.33826 2.00000 -2.00000 -1.33826 0.20906 1.61803 1.95630 1.00000 -0.61803 -1.82709 -1.82709 -0.61803 1.00000 1.95630 1.61803 0.20906 -1.33826 -2.00000
|
||||
23 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 2.00000
|
||||
24 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 -2.00000 -0.61803 1.61803 1.61803 -0.61803 -2.00000 -0.61803 1.61803 1.61803 -0.61803 -2.00000 -0.61803 1.61803 1.61803 -0.61803 -2.00000
|
||||
25 2.00000 0.20906 -1.95630 -0.61803 1.82709 1.00000 -1.61803 -1.33826 1.33826 1.61803 -1.00000 -1.82709 0.61803 1.95630 -0.20906 -2.00000 -2.00000 0.20906 -1.95630 -0.61803 1.82709 1.00000 -1.61803 -1.33826 1.33826 1.61803 -1.00000 -1.82709 0.61803 1.95630 -0.20906 2.00000
|
||||
26 2.00000 -0.20906 -1.95630 0.61803 1.82709 -1.00000 -1.61803 1.33826 1.33826 -1.61803 -1.00000 1.82709 0.61803 -1.95630 -0.20906 2.00000 -2.00000 0.20906 1.95630 -0.61803 -1.82709 1.00000 1.61803 -1.33826 -1.33826 1.61803 1.00000 -1.82709 -0.61803 1.95630 0.20906 -2.00000
|
||||
27 2.00000 -0.61803 -1.61803 1.61803 0.61803 -2.00000 0.61803 1.61803 -1.61803 -0.61803 2.00000 -0.61803 -1.61803 1.61803 0.61803 -2.00000 -2.00000 -0.61803 -1.61803 1.61803 0.61803 -2.00000 0.61803 1.61803 -1.61803 -0.61803 2.00000 -0.61803 -1.61803 1.61803 0.61803 2.00000
|
||||
28 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000 1.00000 1.00000 -2.00000
|
||||
29 2.00000 -1.33826 -0.20906 1.61803 -1.95630 1.00000 0.61803 -1.82709 1.82709 -0.61803 -1.00000 1.95630 -1.61803 0.20906 1.33826 -2.00000 -2.00000 -1.33826 -0.20906 1.61803 -1.95630 1.00000 0.61803 -1.82709 1.82709 -0.61803 -1.00000 1.95630 -1.61803 0.20906 1.33826 2.00000
|
||||
30 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -2.00000 1.61803 -0.61803 -0.61803 1.61803 -2.00000 1.61803 -0.61803 -0.61803 1.61803 -2.00000 1.61803 -0.61803 -0.61803 1.61803 -2.00000
|
||||
31 2.00000 -1.82709 1.33826 -0.61803 -0.20906 1.00000 -1.61803 1.95630 -1.95630 1.61803 -1.00000 0.20906 0.61803 -1.33826 1.82709 -2.00000 -2.00000 -1.82709 1.33826 -0.61803 -0.20906 1.00000 -1.61803 1.95630 -1.95630 1.61803 -1.00000 0.20906 0.61803 -1.33826 1.82709 2.00000
|
||||
32 2.00000 -1.95630 1.82709 -1.61803 1.33826 -1.00000 0.61803 -0.20906 -0.20906 0.61803 -1.00000 1.33826 -1.61803 1.82709 -1.95630 2.00000 -2.00000 1.95630 -1.82709 1.61803 -1.33826 1.00000 -0.61803 0.20906 0.20906 -0.61803 1.00000 -1.33826 1.61803 -1.82709 1.95630 -2.00000
|
||||
|
44
data/Symmetry/C30v
Normal file
44
data/Symmetry/C30v
Normal file
|
@ -0,0 +1,44 @@
|
|||
Group C30v
|
||||
n 18
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C30
|
||||
3 B1 C15
|
||||
4 B2 C10
|
||||
5 E1 C15^2
|
||||
6 E2 C6
|
||||
7 E3 C5
|
||||
8 E4 C30^7
|
||||
9 E5 C15^4
|
||||
10 E6 C10^3
|
||||
11 E7 C3
|
||||
12 E8 C30^11
|
||||
13 E9 C5^2
|
||||
14 E10 C30^13
|
||||
15 E11 C15^7
|
||||
16 E12 C2
|
||||
17 E13 sv
|
||||
18 E14 sd
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
4 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 -1.00000 1.00000
|
||||
5 2.00000 1.95630 1.82709 1.61803 1.33826 1.00000 0.61803 0.20906 -0.20906 -0.61803 -1.00000 -1.33826 -1.61803 -1.82709 -1.95630 -2.00000 0.00000 0.00000
|
||||
6 2.00000 1.82709 1.33826 0.61803 -0.20906 -1.00000 -1.61803 -1.95630 -1.95630 -1.61803 -1.00000 -0.20906 0.61803 1.33826 1.82709 2.00000 0.00000 0.00000
|
||||
7 2.00000 1.61803 0.61803 -0.61803 -1.61803 -2.00000 -1.61803 -0.61803 0.61803 1.61803 2.00000 1.61803 0.61803 -0.61803 -1.61803 -2.00000 0.00000 0.00000
|
||||
8 2.00000 1.33826 -0.20906 -1.61803 -1.95630 -1.00000 0.61803 1.82709 1.82709 0.61803 -1.00000 -1.95630 -1.61803 -0.20906 1.33826 2.00000 0.00000 0.00000
|
||||
9 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 -1.00000 1.00000 2.00000 1.00000 -1.00000 -2.00000 0.00000 0.00000
|
||||
10 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.61803 -1.61803 -1.61803 0.61803 2.00000 0.00000 0.00000
|
||||
11 2.00000 0.20906 -1.95630 -0.61803 1.82709 1.00000 -1.61803 -1.33826 1.33826 1.61803 -1.00000 -1.82709 0.61803 1.95630 -0.20906 -2.00000 0.00000 0.00000
|
||||
12 2.00000 -0.20906 -1.95630 0.61803 1.82709 -1.00000 -1.61803 1.33826 1.33826 -1.61803 -1.00000 1.82709 0.61803 -1.95630 -0.20906 2.00000 0.00000 0.00000
|
||||
13 2.00000 -0.61803 -1.61803 1.61803 0.61803 -2.00000 0.61803 1.61803 -1.61803 -0.61803 2.00000 -0.61803 -1.61803 1.61803 0.61803 -2.00000 0.00000 0.00000
|
||||
14 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 -1.00000 -1.00000 2.00000 0.00000 0.00000
|
||||
15 2.00000 -1.33826 -0.20906 1.61803 -1.95630 1.00000 0.61803 -1.82709 1.82709 -0.61803 -1.00000 1.95630 -1.61803 0.20906 1.33826 -2.00000 0.00000 0.00000
|
||||
16 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 -1.61803 0.61803 0.61803 -1.61803 2.00000 0.00000 0.00000
|
||||
17 2.00000 -1.82709 1.33826 -0.61803 -0.20906 1.00000 -1.61803 1.95630 -1.95630 1.61803 -1.00000 0.20906 0.61803 -1.33826 1.82709 -2.00000 0.00000 0.00000
|
||||
18 2.00000 -1.95630 1.82709 -1.61803 1.33826 -1.00000 0.61803 -0.20906 -0.20906 0.61803 -1.00000 1.33826 -1.61803 1.82709 -1.95630 2.00000 0.00000 0.00000
|
||||
|
40
data/Symmetry/C31
Normal file
40
data/Symmetry/C31
Normal file
|
@ -0,0 +1,40 @@
|
|||
Group C31
|
||||
n 16
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 E1 C31
|
||||
3 E2 C31^2
|
||||
4 E3 C31^3
|
||||
5 E4 C31^4
|
||||
6 E5 C31^5
|
||||
7 E6 C31^6
|
||||
8 E7 C31^7
|
||||
9 E8 C31^8
|
||||
10 E9 C31^9
|
||||
11 E10 C31^10
|
||||
12 E11 C31^11
|
||||
13 E12 C31^12
|
||||
14 E13 C31^13
|
||||
15 E14 C31^14
|
||||
16 E15 C31^15
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 2.00000 1.95906 1.83792 1.64153 1.37793 1.05793 0.69461 0.30286 -0.10130 -0.50131 -0.88079 -1.22421 -1.51752 -1.74869 -1.90828 -1.98974
|
||||
3 2.00000 1.83792 1.37793 0.69461 -0.10130 -0.88079 -1.51752 -1.90828 -1.98974 -1.74869 -1.22421 -0.50131 0.30286 1.05793 1.64153 1.95906
|
||||
4 2.00000 1.64153 0.69461 -0.50131 -1.51752 -1.98974 -1.74869 -0.88079 0.30286 1.37793 1.95906 1.83792 1.05793 -0.10130 -1.22421 -1.90828
|
||||
5 2.00000 1.37793 -0.10130 -1.51752 -1.98974 -1.22421 0.30286 1.64153 1.95906 1.05793 -0.50131 -1.74869 -1.90828 -0.88079 0.69461 1.83792
|
||||
6 2.00000 1.05793 -0.88079 -1.98974 -1.22421 0.69461 1.95906 1.37793 -0.50131 -1.90828 -1.51752 0.30286 1.83792 1.64153 -0.10130 -1.74869
|
||||
7 2.00000 0.69461 -1.51752 -1.74869 0.30286 1.95906 1.05793 -1.22421 -1.90828 -0.10130 1.83792 1.37793 -0.88079 -1.98974 -0.50131 1.64153
|
||||
8 2.00000 0.30286 -1.90828 -0.88079 1.64153 1.37793 -1.22421 -1.74869 0.69461 1.95906 -0.10130 -1.98974 -0.50131 1.83792 1.05793 -1.51752
|
||||
9 2.00000 -0.10130 -1.98974 0.30286 1.95906 -0.50131 -1.90828 0.69461 1.83792 -0.88079 -1.74869 1.05793 1.64153 -1.22421 -1.51752 1.37793
|
||||
10 2.00000 -0.50131 -1.74869 1.37793 1.05793 -1.90828 -0.10130 1.95906 -0.88079 -1.51752 1.64153 0.69461 -1.98974 0.30286 1.83792 -1.22421
|
||||
11 2.00000 -0.88079 -1.22421 1.95906 -0.50131 -1.51752 1.83792 -0.10130 -1.74869 1.64153 0.30286 -1.90828 1.37793 0.69461 -1.98974 1.05793
|
||||
12 2.00000 -1.22421 -0.50131 1.83792 -1.74869 0.30286 1.37793 -1.98974 1.05793 0.69461 -1.90828 1.64153 -0.10130 -1.51752 1.95906 -0.88079
|
||||
13 2.00000 -1.51752 0.30286 1.05793 -1.90828 1.83792 -0.88079 -0.50131 1.64153 -1.98974 1.37793 -0.10130 -1.22421 1.95906 -1.74869 0.69461
|
||||
14 2.00000 -1.74869 1.05793 -0.10130 -0.88079 1.64153 -1.98974 1.83792 -1.22421 0.30286 0.69461 -1.51752 1.95906 -1.90828 1.37793 -0.50131
|
||||
15 2.00000 -1.90828 1.64153 -1.22421 0.69461 -0.10130 -0.50131 1.05793 -1.51752 1.83792 -1.98974 1.95906 -1.74869 1.37793 -0.88079 0.30286
|
||||
16 2.00000 -1.98974 1.95906 -1.90828 1.83792 -1.74869 1.64153 -1.51752 1.37793 -1.22421 1.05793 -0.88079 0.69461 -0.50131 0.30286 -0.10130
|
||||
|
72
data/Symmetry/C31h
Normal file
72
data/Symmetry/C31h
Normal file
|
@ -0,0 +1,72 @@
|
|||
Group C31h
|
||||
n 32
|
||||
|
||||
Irred Operation
|
||||
1 A' E
|
||||
2 A" C31
|
||||
3 E1' C31^2
|
||||
4 E1" C31^3
|
||||
5 E2' C31^4
|
||||
6 E2" C31^5
|
||||
7 E3' C31^6
|
||||
8 E3" C31^7
|
||||
9 E4' C31^8
|
||||
10 E4" C31^9
|
||||
11 E5' C31^10
|
||||
12 E5" C31^11
|
||||
13 E6' C31^12
|
||||
14 E6" C31^13
|
||||
15 E7' C31^14
|
||||
16 E7" C31^15
|
||||
17 E8' sh
|
||||
18 E8" S31
|
||||
19 E9' S31^3
|
||||
20 E9" S31^5
|
||||
21 E10' S31^7
|
||||
22 E10" S31^9
|
||||
23 E11' S31^11
|
||||
24 E11" S31^13
|
||||
25 E12' S31^15
|
||||
26 E12" S31^17
|
||||
27 E13' S31^19
|
||||
28 E13" S31^21
|
||||
29 E14' S31^23
|
||||
30 E14" S31^25
|
||||
31 E15' S31^27
|
||||
32 E15" S31^29
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.95906 1.83792 1.64153 1.37793 1.05793 0.69461 0.30286 -0.10130 -0.50131 -0.88079 -1.22421 -1.51752 -1.74869 -1.90828 -1.98974 2.00000 1.95906 1.64153 1.05793 0.30286 -0.50131 -1.22421 -1.74869 -1.98974 -1.90828 -1.51752 -0.88079 -0.10130 0.69461 1.37793 1.83792
|
||||
4 2.00000 1.95906 1.83792 1.64153 1.37793 1.05793 0.69461 0.30286 -0.10130 -0.50131 -0.88079 -1.22421 -1.51752 -1.74869 -1.90828 -1.98974 -2.00000 -1.95906 -1.64153 -1.05793 -0.30286 0.50131 1.22421 1.74869 1.98974 1.90828 1.51752 0.88079 0.10130 -0.69461 -1.37793 -1.83792
|
||||
5 2.00000 1.83792 1.37793 0.69461 -0.10130 -0.88079 -1.51752 -1.90828 -1.98974 -1.74869 -1.22421 -0.50131 0.30286 1.05793 1.64153 1.95906 2.00000 1.83792 0.69461 -0.88079 -1.90828 -1.74869 -0.50131 1.05793 1.95906 1.64153 0.30286 -1.22421 -1.98974 -1.51752 -0.10130 1.37793
|
||||
6 2.00000 1.83792 1.37793 0.69461 -0.10130 -0.88079 -1.51752 -1.90828 -1.98974 -1.74869 -1.22421 -0.50131 0.30286 1.05793 1.64153 1.95906 -2.00000 -1.83792 -0.69461 0.88079 1.90828 1.74869 0.50131 -1.05793 -1.95906 -1.64153 -0.30286 1.22421 1.98974 1.51752 0.10130 -1.37793
|
||||
7 2.00000 1.64153 0.69461 -0.50131 -1.51752 -1.98974 -1.74869 -0.88079 0.30286 1.37793 1.95906 1.83792 1.05793 -0.10130 -1.22421 -1.90828 2.00000 1.64153 -0.50131 -1.98974 -0.88079 1.37793 1.83792 -0.10130 -1.90828 -1.22421 1.05793 1.95906 0.30286 -1.74869 -1.51752 0.69461
|
||||
8 2.00000 1.64153 0.69461 -0.50131 -1.51752 -1.98974 -1.74869 -0.88079 0.30286 1.37793 1.95906 1.83792 1.05793 -0.10130 -1.22421 -1.90828 -2.00000 -1.64153 0.50131 1.98974 0.88079 -1.37793 -1.83792 0.10130 1.90828 1.22421 -1.05793 -1.95906 -0.30286 1.74869 1.51752 -0.69461
|
||||
9 2.00000 1.37793 -0.10130 -1.51752 -1.98974 -1.22421 0.30286 1.64153 1.95906 1.05793 -0.50131 -1.74869 -1.90828 -0.88079 0.69461 1.83792 2.00000 1.37793 -1.51752 -1.22421 1.64153 1.05793 -1.74869 -0.88079 1.83792 0.69461 -1.90828 -0.50131 1.95906 0.30286 -1.98974 -0.10130
|
||||
10 2.00000 1.37793 -0.10130 -1.51752 -1.98974 -1.22421 0.30286 1.64153 1.95906 1.05793 -0.50131 -1.74869 -1.90828 -0.88079 0.69461 1.83792 -2.00000 -1.37793 1.51752 1.22421 -1.64153 -1.05793 1.74869 0.88079 -1.83792 -0.69461 1.90828 0.50131 -1.95906 -0.30286 1.98974 0.10130
|
||||
11 2.00000 1.05793 -0.88079 -1.98974 -1.22421 0.69461 1.95906 1.37793 -0.50131 -1.90828 -1.51752 0.30286 1.83792 1.64153 -0.10130 -1.74869 2.00000 1.05793 -1.98974 0.69461 1.37793 -1.90828 0.30286 1.64153 -1.74869 -0.10130 1.83792 -1.51752 -0.50131 1.95906 -1.22421 -0.88079
|
||||
12 2.00000 1.05793 -0.88079 -1.98974 -1.22421 0.69461 1.95906 1.37793 -0.50131 -1.90828 -1.51752 0.30286 1.83792 1.64153 -0.10130 -1.74869 -2.00000 -1.05793 1.98974 -0.69461 -1.37793 1.90828 -0.30286 -1.64153 1.74869 0.10130 -1.83792 1.51752 0.50131 -1.95906 1.22421 0.88079
|
||||
13 2.00000 0.69461 -1.51752 -1.74869 0.30286 1.95906 1.05793 -1.22421 -1.90828 -0.10130 1.83792 1.37793 -0.88079 -1.98974 -0.50131 1.64153 2.00000 0.69461 -1.74869 1.95906 -1.22421 -0.10130 1.37793 -1.98974 1.64153 -0.50131 -0.88079 1.83792 -1.90828 1.05793 0.30286 -1.51752
|
||||
14 2.00000 0.69461 -1.51752 -1.74869 0.30286 1.95906 1.05793 -1.22421 -1.90828 -0.10130 1.83792 1.37793 -0.88079 -1.98974 -0.50131 1.64153 -2.00000 -0.69461 1.74869 -1.95906 1.22421 0.10130 -1.37793 1.98974 -1.64153 0.50131 0.88079 -1.83792 1.90828 -1.05793 -0.30286 1.51752
|
||||
15 2.00000 0.30286 -1.90828 -0.88079 1.64153 1.37793 -1.22421 -1.74869 0.69461 1.95906 -0.10130 -1.98974 -0.50131 1.83792 1.05793 -1.51752 2.00000 0.30286 -0.88079 1.37793 -1.74869 1.95906 -1.98974 1.83792 -1.51752 1.05793 -0.50131 -0.10130 0.69461 -1.22421 1.64153 -1.90828
|
||||
16 2.00000 0.30286 -1.90828 -0.88079 1.64153 1.37793 -1.22421 -1.74869 0.69461 1.95906 -0.10130 -1.98974 -0.50131 1.83792 1.05793 -1.51752 -2.00000 -0.30286 0.88079 -1.37793 1.74869 -1.95906 1.98974 -1.83792 1.51752 -1.05793 0.50131 0.10130 -0.69461 1.22421 -1.64153 1.90828
|
||||
17 2.00000 -0.10130 -1.98974 0.30286 1.95906 -0.50131 -1.90828 0.69461 1.83792 -0.88079 -1.74869 1.05793 1.64153 -1.22421 -1.51752 1.37793 2.00000 -0.10130 0.30286 -0.50131 0.69461 -0.88079 1.05793 -1.22421 1.37793 -1.51752 1.64153 -1.74869 1.83792 -1.90828 1.95906 -1.98974
|
||||
18 2.00000 -0.10130 -1.98974 0.30286 1.95906 -0.50131 -1.90828 0.69461 1.83792 -0.88079 -1.74869 1.05793 1.64153 -1.22421 -1.51752 1.37793 -2.00000 0.10130 -0.30286 0.50131 -0.69461 0.88079 -1.05793 1.22421 -1.37793 1.51752 -1.64153 1.74869 -1.83792 1.90828 -1.95906 1.98974
|
||||
19 2.00000 -0.50131 -1.74869 1.37793 1.05793 -1.90828 -0.10130 1.95906 -0.88079 -1.51752 1.64153 0.69461 -1.98974 0.30286 1.83792 -1.22421 2.00000 -0.50131 1.37793 -1.90828 1.95906 -1.51752 0.69461 0.30286 -1.22421 1.83792 -1.98974 1.64153 -0.88079 -0.10130 1.05793 -1.74869
|
||||
20 2.00000 -0.50131 -1.74869 1.37793 1.05793 -1.90828 -0.10130 1.95906 -0.88079 -1.51752 1.64153 0.69461 -1.98974 0.30286 1.83792 -1.22421 -2.00000 0.50131 -1.37793 1.90828 -1.95906 1.51752 -0.69461 -0.30286 1.22421 -1.83792 1.98974 -1.64153 0.88079 0.10130 -1.05793 1.74869
|
||||
21 2.00000 -0.88079 -1.22421 1.95906 -0.50131 -1.51752 1.83792 -0.10130 -1.74869 1.64153 0.30286 -1.90828 1.37793 0.69461 -1.98974 1.05793 2.00000 -0.88079 1.95906 -1.51752 -0.10130 1.64153 -1.90828 0.69461 1.05793 -1.98974 1.37793 0.30286 -1.74869 1.83792 -0.50131 -1.22421
|
||||
22 2.00000 -0.88079 -1.22421 1.95906 -0.50131 -1.51752 1.83792 -0.10130 -1.74869 1.64153 0.30286 -1.90828 1.37793 0.69461 -1.98974 1.05793 -2.00000 0.88079 -1.95906 1.51752 0.10130 -1.64153 1.90828 -0.69461 -1.05793 1.98974 -1.37793 -0.30286 1.74869 -1.83792 0.50131 1.22421
|
||||
23 2.00000 -1.22421 -0.50131 1.83792 -1.74869 0.30286 1.37793 -1.98974 1.05793 0.69461 -1.90828 1.64153 -0.10130 -1.51752 1.95906 -0.88079 2.00000 -1.22421 1.83792 0.30286 -1.98974 0.69461 1.64153 -1.51752 -0.88079 1.95906 -0.10130 -1.90828 1.05793 1.37793 -1.74869 -0.50131
|
||||
24 2.00000 -1.22421 -0.50131 1.83792 -1.74869 0.30286 1.37793 -1.98974 1.05793 0.69461 -1.90828 1.64153 -0.10130 -1.51752 1.95906 -0.88079 -2.00000 1.22421 -1.83792 -0.30286 1.98974 -0.69461 -1.64153 1.51752 0.88079 -1.95906 0.10130 1.90828 -1.05793 -1.37793 1.74869 0.50131
|
||||
25 2.00000 -1.51752 0.30286 1.05793 -1.90828 1.83792 -0.88079 -0.50131 1.64153 -1.98974 1.37793 -0.10130 -1.22421 1.95906 -1.74869 0.69461 2.00000 -1.51752 1.05793 1.83792 -0.50131 -1.98974 -0.10130 1.95906 0.69461 -1.74869 -1.22421 1.37793 1.64153 -0.88079 -1.90828 0.30286
|
||||
26 2.00000 -1.51752 0.30286 1.05793 -1.90828 1.83792 -0.88079 -0.50131 1.64153 -1.98974 1.37793 -0.10130 -1.22421 1.95906 -1.74869 0.69461 -2.00000 1.51752 -1.05793 -1.83792 0.50131 1.98974 0.10130 -1.95906 -0.69461 1.74869 1.22421 -1.37793 -1.64153 0.88079 1.90828 -0.30286
|
||||
27 2.00000 -1.74869 1.05793 -0.10130 -0.88079 1.64153 -1.98974 1.83792 -1.22421 0.30286 0.69461 -1.51752 1.95906 -1.90828 1.37793 -0.50131 2.00000 -1.74869 -0.10130 1.64153 1.83792 0.30286 -1.51752 -1.90828 -0.50131 1.37793 1.95906 0.69461 -1.22421 -1.98974 -0.88079 1.05793
|
||||
28 2.00000 -1.74869 1.05793 -0.10130 -0.88079 1.64153 -1.98974 1.83792 -1.22421 0.30286 0.69461 -1.51752 1.95906 -1.90828 1.37793 -0.50131 -2.00000 1.74869 0.10130 -1.64153 -1.83792 -0.30286 1.51752 1.90828 0.50131 -1.37793 -1.95906 -0.69461 1.22421 1.98974 0.88079 -1.05793
|
||||
29 2.00000 -1.90828 1.64153 -1.22421 0.69461 -0.10130 -0.50131 1.05793 -1.51752 1.83792 -1.98974 1.95906 -1.74869 1.37793 -0.88079 0.30286 2.00000 -1.90828 -1.22421 -0.10130 1.05793 1.83792 1.95906 1.37793 0.30286 -0.88079 -1.74869 -1.98974 -1.51752 -0.50131 0.69461 1.64153
|
||||
30 2.00000 -1.90828 1.64153 -1.22421 0.69461 -0.10130 -0.50131 1.05793 -1.51752 1.83792 -1.98974 1.95906 -1.74869 1.37793 -0.88079 0.30286 -2.00000 1.90828 1.22421 0.10130 -1.05793 -1.83792 -1.95906 -1.37793 -0.30286 0.88079 1.74869 1.98974 1.51752 0.50131 -0.69461 -1.64153
|
||||
31 2.00000 -1.98974 1.95906 -1.90828 1.83792 -1.74869 1.64153 -1.51752 1.37793 -1.22421 1.05793 -0.88079 0.69461 -0.50131 0.30286 -0.10130 2.00000 -1.98974 -1.90828 -1.74869 -1.51752 -1.22421 -0.88079 -0.50131 -0.10130 0.30286 0.69461 1.05793 1.37793 1.64153 1.83792 1.95906
|
||||
32 2.00000 -1.98974 1.95906 -1.90828 1.83792 -1.74869 1.64153 -1.51752 1.37793 -1.22421 1.05793 -0.88079 0.69461 -0.50131 0.30286 -0.10130 -2.00000 1.98974 1.90828 1.74869 1.51752 1.22421 0.88079 0.50131 0.10130 -0.30286 -0.69461 -1.05793 -1.37793 -1.64153 -1.83792 -1.95906
|
||||
|
42
data/Symmetry/C31v
Normal file
42
data/Symmetry/C31v
Normal file
|
@ -0,0 +1,42 @@
|
|||
Group C31v
|
||||
n 17
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C31
|
||||
3 E1 C31^2
|
||||
4 E2 C31^3
|
||||
5 E3 C31^4
|
||||
6 E4 C31^5
|
||||
7 E5 C31^6
|
||||
8 E6 C31^7
|
||||
9 E7 C31^8
|
||||
10 E8 C31^9
|
||||
11 E9 C31^10
|
||||
12 E10 C31^11
|
||||
13 E11 C31^12
|
||||
14 E12 C31^13
|
||||
15 E13 C31^14
|
||||
16 E14 C31^15
|
||||
17 E15 sv
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.95906 1.83792 1.64153 1.37793 1.05793 0.69461 0.30286 -0.10130 -0.50131 -0.88079 -1.22421 -1.51752 -1.74869 -1.90828 -1.98974 0.00000
|
||||
4 2.00000 1.83792 1.37793 0.69461 -0.10130 -0.88079 -1.51752 -1.90828 -1.98974 -1.74869 -1.22421 -0.50131 0.30286 1.05793 1.64153 1.95906 0.00000
|
||||
5 2.00000 1.64153 0.69461 -0.50131 -1.51752 -1.98974 -1.74869 -0.88079 0.30286 1.37793 1.95906 1.83792 1.05793 -0.10130 -1.22421 -1.90828 0.00000
|
||||
6 2.00000 1.37793 -0.10130 -1.51752 -1.98974 -1.22421 0.30286 1.64153 1.95906 1.05793 -0.50131 -1.74869 -1.90828 -0.88079 0.69461 1.83792 0.00000
|
||||
7 2.00000 1.05793 -0.88079 -1.98974 -1.22421 0.69461 1.95906 1.37793 -0.50131 -1.90828 -1.51752 0.30286 1.83792 1.64153 -0.10130 -1.74869 0.00000
|
||||
8 2.00000 0.69461 -1.51752 -1.74869 0.30286 1.95906 1.05793 -1.22421 -1.90828 -0.10130 1.83792 1.37793 -0.88079 -1.98974 -0.50131 1.64153 0.00000
|
||||
9 2.00000 0.30286 -1.90828 -0.88079 1.64153 1.37793 -1.22421 -1.74869 0.69461 1.95906 -0.10130 -1.98974 -0.50131 1.83792 1.05793 -1.51752 0.00000
|
||||
10 2.00000 -0.10130 -1.98974 0.30286 1.95906 -0.50131 -1.90828 0.69461 1.83792 -0.88079 -1.74869 1.05793 1.64153 -1.22421 -1.51752 1.37793 0.00000
|
||||
11 2.00000 -0.50131 -1.74869 1.37793 1.05793 -1.90828 -0.10130 1.95906 -0.88079 -1.51752 1.64153 0.69461 -1.98974 0.30286 1.83792 -1.22421 0.00000
|
||||
12 2.00000 -0.88079 -1.22421 1.95906 -0.50131 -1.51752 1.83792 -0.10130 -1.74869 1.64153 0.30286 -1.90828 1.37793 0.69461 -1.98974 1.05793 0.00000
|
||||
13 2.00000 -1.22421 -0.50131 1.83792 -1.74869 0.30286 1.37793 -1.98974 1.05793 0.69461 -1.90828 1.64153 -0.10130 -1.51752 1.95906 -0.88079 0.00000
|
||||
14 2.00000 -1.51752 0.30286 1.05793 -1.90828 1.83792 -0.88079 -0.50131 1.64153 -1.98974 1.37793 -0.10130 -1.22421 1.95906 -1.74869 0.69461 0.00000
|
||||
15 2.00000 -1.74869 1.05793 -0.10130 -0.88079 1.64153 -1.98974 1.83792 -1.22421 0.30286 0.69461 -1.51752 1.95906 -1.90828 1.37793 -0.50131 0.00000
|
||||
16 2.00000 -1.90828 1.64153 -1.22421 0.69461 -0.10130 -0.50131 1.05793 -1.51752 1.83792 -1.98974 1.95906 -1.74869 1.37793 -0.88079 0.30286 0.00000
|
||||
17 2.00000 -1.98974 1.95906 -1.90828 1.83792 -1.74869 1.64153 -1.51752 1.37793 -1.22421 1.05793 -0.88079 0.69461 -0.50131 0.30286 -0.10130 0.00000
|
||||
|
42
data/Symmetry/C32
Normal file
42
data/Symmetry/C32
Normal file
|
@ -0,0 +1,42 @@
|
|||
Group C32
|
||||
n 17
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 B C32
|
||||
3 E1 C16
|
||||
4 E2 C32^3
|
||||
5 E3 C8
|
||||
6 E4 C32^5
|
||||
7 E5 C16^3
|
||||
8 E6 C32^7
|
||||
9 E7 C4
|
||||
10 E8 C32^9
|
||||
11 E9 C16^5
|
||||
12 E10 C32^11
|
||||
13 E11 C8^3
|
||||
14 E12 C32^13
|
||||
15 E13 C16^7
|
||||
16 E14 C32^15
|
||||
17 E15 C2
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
3 2.00000 1.96157 1.84776 1.66294 1.41421 1.11114 0.76537 0.39018 0.00000 -0.39018 -0.76537 -1.11114 -1.41421 -1.66294 -1.84776 -1.96157 -2.00000
|
||||
4 2.00000 1.84776 1.41421 0.76537 0.00000 -0.76537 -1.41421 -1.84776 -2.00000 -1.84776 -1.41421 -0.76537 0.00000 0.76537 1.41421 1.84776 2.00000
|
||||
5 2.00000 1.66294 0.76537 -0.39018 -1.41421 -1.96157 -1.84776 -1.11114 0.00000 1.11114 1.84776 1.96157 1.41421 0.39018 -0.76537 -1.66294 -2.00000
|
||||
6 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000
|
||||
7 2.00000 1.11114 -0.76537 -1.96157 -1.41421 0.39018 1.84776 1.66294 0.00000 -1.66294 -1.84776 -0.39018 1.41421 1.96157 0.76537 -1.11114 -2.00000
|
||||
8 2.00000 0.76537 -1.41421 -1.84776 0.00000 1.84776 1.41421 -0.76537 -2.00000 -0.76537 1.41421 1.84776 0.00000 -1.84776 -1.41421 0.76537 2.00000
|
||||
9 2.00000 0.39018 -1.84776 -1.11114 1.41421 1.66294 -0.76537 -1.96157 0.00000 1.96157 0.76537 -1.66294 -1.41421 1.11114 1.84776 -0.39018 -2.00000
|
||||
10 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000
|
||||
11 2.00000 -0.39018 -1.84776 1.11114 1.41421 -1.66294 -0.76537 1.96157 0.00000 -1.96157 0.76537 1.66294 -1.41421 -1.11114 1.84776 0.39018 -2.00000
|
||||
12 2.00000 -0.76537 -1.41421 1.84776 0.00000 -1.84776 1.41421 0.76537 -2.00000 0.76537 1.41421 -1.84776 0.00000 1.84776 -1.41421 -0.76537 2.00000
|
||||
13 2.00000 -1.11114 -0.76537 1.96157 -1.41421 -0.39018 1.84776 -1.66294 0.00000 1.66294 -1.84776 0.39018 1.41421 -1.96157 0.76537 1.11114 -2.00000
|
||||
14 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000
|
||||
15 2.00000 -1.66294 0.76537 0.39018 -1.41421 1.96157 -1.84776 1.11114 0.00000 -1.11114 1.84776 -1.96157 1.41421 -0.39018 -0.76537 1.66294 -2.00000
|
||||
16 2.00000 -1.84776 1.41421 -0.76537 0.00000 0.76537 -1.41421 1.84776 -2.00000 1.84776 -1.41421 0.76537 0.00000 -0.76537 1.41421 -1.84776 2.00000
|
||||
17 2.00000 -1.96157 1.84776 -1.66294 1.41421 -1.11114 0.76537 -0.39018 0.00000 0.39018 -0.76537 1.11114 -1.41421 1.66294 -1.84776 1.96157 -2.00000
|
||||
|
76
data/Symmetry/C32h
Normal file
76
data/Symmetry/C32h
Normal file
|
@ -0,0 +1,76 @@
|
|||
Group C32h
|
||||
n 34
|
||||
|
||||
Irred Operation
|
||||
1 Ag E
|
||||
2 Bg C32
|
||||
3 E1g C16
|
||||
4 E2g C32^3
|
||||
5 E3g C8
|
||||
6 E4g C32^5
|
||||
7 E5g C16^3
|
||||
8 E6g C32^7
|
||||
9 E7g C4
|
||||
10 E8g C32^9
|
||||
11 E9g C16^5
|
||||
12 E10g C32^11
|
||||
13 E11g C8^3
|
||||
14 E12g C32^13
|
||||
15 E13g C16^7
|
||||
16 E14g C32^15
|
||||
17 E15g C2
|
||||
18 Au i
|
||||
19 Bu S32
|
||||
20 E1u S16
|
||||
21 E2u S32^3
|
||||
22 E3u S8
|
||||
23 E4u S32^5
|
||||
24 E5u S16^3
|
||||
25 E6u S32^7
|
||||
26 E7u S4
|
||||
27 E8u S32^9
|
||||
28 E9u S16^5
|
||||
29 E10u S32^11
|
||||
30 E11u S8^3
|
||||
31 E12u S32^13
|
||||
32 E13u S16^7
|
||||
33 E14u S32^15
|
||||
34 E15u sh
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
3 2.00000 1.96157 1.84776 1.66294 1.41421 1.11114 0.76537 0.39018 0.00000 -0.39018 -0.76537 -1.11114 -1.41421 -1.66294 -1.84776 -1.96157 -2.00000 2.00000 -1.96157 -1.84776 -1.66294 -1.41421 -1.11114 -0.76537 -0.39018 0.00000 0.39018 0.76537 1.11114 1.41421 1.66294 1.84776 1.96157 -2.00000
|
||||
4 2.00000 1.84776 1.41421 0.76537 0.00000 -0.76537 -1.41421 -1.84776 -2.00000 -1.84776 -1.41421 -0.76537 0.00000 0.76537 1.41421 1.84776 2.00000 2.00000 1.84776 1.41421 0.76537 0.00000 -0.76537 -1.41421 -1.84776 -2.00000 -1.84776 -1.41421 -0.76537 0.00000 0.76537 1.41421 1.84776 2.00000
|
||||
5 2.00000 1.66294 0.76537 -0.39018 -1.41421 -1.96157 -1.84776 -1.11114 0.00000 1.11114 1.84776 1.96157 1.41421 0.39018 -0.76537 -1.66294 -2.00000 2.00000 -1.66294 -0.76537 0.39018 1.41421 1.96157 1.84776 1.11114 0.00000 -1.11114 -1.84776 -1.96157 -1.41421 -0.39018 0.76537 1.66294 -2.00000
|
||||
6 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000
|
||||
7 2.00000 1.11114 -0.76537 -1.96157 -1.41421 0.39018 1.84776 1.66294 0.00000 -1.66294 -1.84776 -0.39018 1.41421 1.96157 0.76537 -1.11114 -2.00000 2.00000 -1.11114 0.76537 1.96157 1.41421 -0.39018 -1.84776 -1.66294 0.00000 1.66294 1.84776 0.39018 -1.41421 -1.96157 -0.76537 1.11114 -2.00000
|
||||
8 2.00000 0.76537 -1.41421 -1.84776 0.00000 1.84776 1.41421 -0.76537 -2.00000 -0.76537 1.41421 1.84776 0.00000 -1.84776 -1.41421 0.76537 2.00000 2.00000 0.76537 -1.41421 -1.84776 0.00000 1.84776 1.41421 -0.76537 -2.00000 -0.76537 1.41421 1.84776 0.00000 -1.84776 -1.41421 0.76537 2.00000
|
||||
9 2.00000 0.39018 -1.84776 -1.11114 1.41421 1.66294 -0.76537 -1.96157 0.00000 1.96157 0.76537 -1.66294 -1.41421 1.11114 1.84776 -0.39018 -2.00000 2.00000 -0.39018 1.84776 1.11114 -1.41421 -1.66294 0.76537 1.96157 0.00000 -1.96157 -0.76537 1.66294 1.41421 -1.11114 -1.84776 0.39018 -2.00000
|
||||
10 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000
|
||||
11 2.00000 -0.39018 -1.84776 1.11114 1.41421 -1.66294 -0.76537 1.96157 0.00000 -1.96157 0.76537 1.66294 -1.41421 -1.11114 1.84776 0.39018 -2.00000 2.00000 0.39018 1.84776 -1.11114 -1.41421 1.66294 0.76537 -1.96157 0.00000 1.96157 -0.76537 -1.66294 1.41421 1.11114 -1.84776 -0.39018 -2.00000
|
||||
12 2.00000 -0.76537 -1.41421 1.84776 0.00000 -1.84776 1.41421 0.76537 -2.00000 0.76537 1.41421 -1.84776 0.00000 1.84776 -1.41421 -0.76537 2.00000 2.00000 -0.76537 -1.41421 1.84776 0.00000 -1.84776 1.41421 0.76537 -2.00000 0.76537 1.41421 -1.84776 0.00000 1.84776 -1.41421 -0.76537 2.00000
|
||||
13 2.00000 -1.11114 -0.76537 1.96157 -1.41421 -0.39018 1.84776 -1.66294 0.00000 1.66294 -1.84776 0.39018 1.41421 -1.96157 0.76537 1.11114 -2.00000 2.00000 1.11114 0.76537 -1.96157 1.41421 0.39018 -1.84776 1.66294 0.00000 -1.66294 1.84776 -0.39018 -1.41421 1.96157 -0.76537 -1.11114 -2.00000
|
||||
14 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000
|
||||
15 2.00000 -1.66294 0.76537 0.39018 -1.41421 1.96157 -1.84776 1.11114 0.00000 -1.11114 1.84776 -1.96157 1.41421 -0.39018 -0.76537 1.66294 -2.00000 2.00000 1.66294 -0.76537 -0.39018 1.41421 -1.96157 1.84776 -1.11114 0.00000 1.11114 -1.84776 1.96157 -1.41421 0.39018 0.76537 -1.66294 -2.00000
|
||||
16 2.00000 -1.84776 1.41421 -0.76537 0.00000 0.76537 -1.41421 1.84776 -2.00000 1.84776 -1.41421 0.76537 0.00000 -0.76537 1.41421 -1.84776 2.00000 2.00000 -1.84776 1.41421 -0.76537 0.00000 0.76537 -1.41421 1.84776 -2.00000 1.84776 -1.41421 0.76537 0.00000 -0.76537 1.41421 -1.84776 2.00000
|
||||
17 2.00000 -1.96157 1.84776 -1.66294 1.41421 -1.11114 0.76537 -0.39018 0.00000 0.39018 -0.76537 1.11114 -1.41421 1.66294 -1.84776 1.96157 -2.00000 2.00000 1.96157 -1.84776 1.66294 -1.41421 1.11114 -0.76537 0.39018 0.00000 -0.39018 0.76537 -1.11114 1.41421 -1.66294 1.84776 -1.96157 -2.00000
|
||||
18 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
19 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
20 2.00000 1.96157 1.84776 1.66294 1.41421 1.11114 0.76537 0.39018 0.00000 -0.39018 -0.76537 -1.11114 -1.41421 -1.66294 -1.84776 -1.96157 -2.00000 -2.00000 1.96157 1.84776 1.66294 1.41421 1.11114 0.76537 0.39018 0.00000 -0.39018 -0.76537 -1.11114 -1.41421 -1.66294 -1.84776 -1.96157 2.00000
|
||||
21 2.00000 1.84776 1.41421 0.76537 0.00000 -0.76537 -1.41421 -1.84776 -2.00000 -1.84776 -1.41421 -0.76537 0.00000 0.76537 1.41421 1.84776 2.00000 -2.00000 -1.84776 -1.41421 -0.76537 0.00000 0.76537 1.41421 1.84776 2.00000 1.84776 1.41421 0.76537 0.00000 -0.76537 -1.41421 -1.84776 -2.00000
|
||||
22 2.00000 1.66294 0.76537 -0.39018 -1.41421 -1.96157 -1.84776 -1.11114 0.00000 1.11114 1.84776 1.96157 1.41421 0.39018 -0.76537 -1.66294 -2.00000 -2.00000 1.66294 0.76537 -0.39018 -1.41421 -1.96157 -1.84776 -1.11114 0.00000 1.11114 1.84776 1.96157 1.41421 0.39018 -0.76537 -1.66294 2.00000
|
||||
23 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000 -2.00000 -1.41421 0.00000 1.41421 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000 1.41421 0.00000 -1.41421 -2.00000
|
||||
24 2.00000 1.11114 -0.76537 -1.96157 -1.41421 0.39018 1.84776 1.66294 0.00000 -1.66294 -1.84776 -0.39018 1.41421 1.96157 0.76537 -1.11114 -2.00000 -2.00000 1.11114 -0.76537 -1.96157 -1.41421 0.39018 1.84776 1.66294 0.00000 -1.66294 -1.84776 -0.39018 1.41421 1.96157 0.76537 -1.11114 2.00000
|
||||
25 2.00000 0.76537 -1.41421 -1.84776 0.00000 1.84776 1.41421 -0.76537 -2.00000 -0.76537 1.41421 1.84776 0.00000 -1.84776 -1.41421 0.76537 2.00000 -2.00000 -0.76537 1.41421 1.84776 0.00000 -1.84776 -1.41421 0.76537 2.00000 0.76537 -1.41421 -1.84776 0.00000 1.84776 1.41421 -0.76537 -2.00000
|
||||
26 2.00000 0.39018 -1.84776 -1.11114 1.41421 1.66294 -0.76537 -1.96157 0.00000 1.96157 0.76537 -1.66294 -1.41421 1.11114 1.84776 -0.39018 -2.00000 -2.00000 0.39018 -1.84776 -1.11114 1.41421 1.66294 -0.76537 -1.96157 0.00000 1.96157 0.76537 -1.66294 -1.41421 1.11114 1.84776 -0.39018 2.00000
|
||||
27 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000
|
||||
28 2.00000 -0.39018 -1.84776 1.11114 1.41421 -1.66294 -0.76537 1.96157 0.00000 -1.96157 0.76537 1.66294 -1.41421 -1.11114 1.84776 0.39018 -2.00000 -2.00000 -0.39018 -1.84776 1.11114 1.41421 -1.66294 -0.76537 1.96157 0.00000 -1.96157 0.76537 1.66294 -1.41421 -1.11114 1.84776 0.39018 2.00000
|
||||
29 2.00000 -0.76537 -1.41421 1.84776 0.00000 -1.84776 1.41421 0.76537 -2.00000 0.76537 1.41421 -1.84776 0.00000 1.84776 -1.41421 -0.76537 2.00000 -2.00000 0.76537 1.41421 -1.84776 0.00000 1.84776 -1.41421 -0.76537 2.00000 -0.76537 -1.41421 1.84776 0.00000 -1.84776 1.41421 0.76537 -2.00000
|
||||
30 2.00000 -1.11114 -0.76537 1.96157 -1.41421 -0.39018 1.84776 -1.66294 0.00000 1.66294 -1.84776 0.39018 1.41421 -1.96157 0.76537 1.11114 -2.00000 -2.00000 -1.11114 -0.76537 1.96157 -1.41421 -0.39018 1.84776 -1.66294 0.00000 1.66294 -1.84776 0.39018 1.41421 -1.96157 0.76537 1.11114 2.00000
|
||||
31 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000 -2.00000 1.41421 0.00000 -1.41421 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000 -1.41421 0.00000 1.41421 -2.00000
|
||||
32 2.00000 -1.66294 0.76537 0.39018 -1.41421 1.96157 -1.84776 1.11114 0.00000 -1.11114 1.84776 -1.96157 1.41421 -0.39018 -0.76537 1.66294 -2.00000 -2.00000 -1.66294 0.76537 0.39018 -1.41421 1.96157 -1.84776 1.11114 0.00000 -1.11114 1.84776 -1.96157 1.41421 -0.39018 -0.76537 1.66294 2.00000
|
||||
33 2.00000 -1.84776 1.41421 -0.76537 0.00000 0.76537 -1.41421 1.84776 -2.00000 1.84776 -1.41421 0.76537 0.00000 -0.76537 1.41421 -1.84776 2.00000 -2.00000 1.84776 -1.41421 0.76537 0.00000 -0.76537 1.41421 -1.84776 2.00000 -1.84776 1.41421 -0.76537 0.00000 0.76537 -1.41421 1.84776 -2.00000
|
||||
34 2.00000 -1.96157 1.84776 -1.66294 1.41421 -1.11114 0.76537 -0.39018 0.00000 0.39018 -0.76537 1.11114 -1.41421 1.66294 -1.84776 1.96157 -2.00000 -2.00000 -1.96157 1.84776 -1.66294 1.41421 -1.11114 0.76537 -0.39018 0.00000 0.39018 -0.76537 1.11114 -1.41421 1.66294 -1.84776 1.96157 2.00000
|
||||
|
46
data/Symmetry/C32v
Normal file
46
data/Symmetry/C32v
Normal file
|
@ -0,0 +1,46 @@
|
|||
Group C32v
|
||||
n 19
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C32
|
||||
3 B1 C16
|
||||
4 B2 C32^3
|
||||
5 E1 C8
|
||||
6 E2 C32^5
|
||||
7 E3 C16^3
|
||||
8 E4 C32^7
|
||||
9 E5 C4
|
||||
10 E6 C32^9
|
||||
11 E7 C16^5
|
||||
12 E8 C32^11
|
||||
13 E9 C8^3
|
||||
14 E10 C32^13
|
||||
15 E11 C16^7
|
||||
16 E12 C32^15
|
||||
17 E13 C2
|
||||
18 E14 sv
|
||||
19 E15 sd
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000
|
||||
4 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
5 2.00000 1.96157 1.84776 1.66294 1.41421 1.11114 0.76537 0.39018 0.00000 -0.39018 -0.76537 -1.11114 -1.41421 -1.66294 -1.84776 -1.96157 -2.00000 0.00000 0.00000
|
||||
6 2.00000 1.84776 1.41421 0.76537 0.00000 -0.76537 -1.41421 -1.84776 -2.00000 -1.84776 -1.41421 -0.76537 0.00000 0.76537 1.41421 1.84776 2.00000 0.00000 0.00000
|
||||
7 2.00000 1.66294 0.76537 -0.39018 -1.41421 -1.96157 -1.84776 -1.11114 0.00000 1.11114 1.84776 1.96157 1.41421 0.39018 -0.76537 -1.66294 -2.00000 0.00000 0.00000
|
||||
8 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000 1.41421 0.00000 -1.41421 -2.00000 -1.41421 0.00000 1.41421 2.00000 0.00000 0.00000
|
||||
9 2.00000 1.11114 -0.76537 -1.96157 -1.41421 0.39018 1.84776 1.66294 0.00000 -1.66294 -1.84776 -0.39018 1.41421 1.96157 0.76537 -1.11114 -2.00000 0.00000 0.00000
|
||||
10 2.00000 0.76537 -1.41421 -1.84776 0.00000 1.84776 1.41421 -0.76537 -2.00000 -0.76537 1.41421 1.84776 0.00000 -1.84776 -1.41421 0.76537 2.00000 0.00000 0.00000
|
||||
11 2.00000 0.39018 -1.84776 -1.11114 1.41421 1.66294 -0.76537 -1.96157 0.00000 1.96157 0.76537 -1.66294 -1.41421 1.11114 1.84776 -0.39018 -2.00000 0.00000 0.00000
|
||||
12 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 -2.00000 0.00000 2.00000 0.00000 0.00000
|
||||
13 2.00000 -0.39018 -1.84776 1.11114 1.41421 -1.66294 -0.76537 1.96157 0.00000 -1.96157 0.76537 1.66294 -1.41421 -1.11114 1.84776 0.39018 -2.00000 0.00000 0.00000
|
||||
14 2.00000 -0.76537 -1.41421 1.84776 0.00000 -1.84776 1.41421 0.76537 -2.00000 0.76537 1.41421 -1.84776 0.00000 1.84776 -1.41421 -0.76537 2.00000 0.00000 0.00000
|
||||
15 2.00000 -1.11114 -0.76537 1.96157 -1.41421 -0.39018 1.84776 -1.66294 0.00000 1.66294 -1.84776 0.39018 1.41421 -1.96157 0.76537 1.11114 -2.00000 0.00000 0.00000
|
||||
16 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000 -1.41421 0.00000 1.41421 -2.00000 1.41421 0.00000 -1.41421 2.00000 0.00000 0.00000
|
||||
17 2.00000 -1.66294 0.76537 0.39018 -1.41421 1.96157 -1.84776 1.11114 0.00000 -1.11114 1.84776 -1.96157 1.41421 -0.39018 -0.76537 1.66294 -2.00000 0.00000 0.00000
|
||||
18 2.00000 -1.84776 1.41421 -0.76537 0.00000 0.76537 -1.41421 1.84776 -2.00000 1.84776 -1.41421 0.76537 0.00000 -0.76537 1.41421 -1.84776 2.00000 0.00000 0.00000
|
||||
19 2.00000 -1.96157 1.84776 -1.66294 1.41421 -1.11114 0.76537 -0.39018 0.00000 0.39018 -0.76537 1.11114 -1.41421 1.66294 -1.84776 1.96157 -2.00000 0.00000 0.00000
|
||||
|
16
data/Symmetry/C3h
Normal file
16
data/Symmetry/C3h
Normal file
|
@ -0,0 +1,16 @@
|
|||
Group C3h
|
||||
n 4
|
||||
|
||||
Irred Operation
|
||||
1 A' E
|
||||
2 A" C3
|
||||
3 E' sh
|
||||
4 E" S3
|
||||
|
||||
Table
|
||||
1 2 3 4
|
||||
1 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 2.00000 -1.00000 2.00000 -1.00000
|
||||
4 2.00000 -1.00000 -2.00000 1.00000
|
||||
|
14
data/Symmetry/C3v
Normal file
14
data/Symmetry/C3v
Normal file
|
@ -0,0 +1,14 @@
|
|||
Group C3v
|
||||
n 3
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C3
|
||||
3 E sv
|
||||
|
||||
Table
|
||||
1 2 3
|
||||
1 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 -1.00000
|
||||
3 2.00000 -1.00000 0.00000
|
||||
|
14
data/Symmetry/C4
Normal file
14
data/Symmetry/C4
Normal file
|
@ -0,0 +1,14 @@
|
|||
Group C4
|
||||
n 3
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 B C4
|
||||
3 E C2
|
||||
|
||||
Table
|
||||
1 2 3
|
||||
1 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000
|
||||
3 2.00000 0.00000 -2.00000
|
||||
|
20
data/Symmetry/C4h
Normal file
20
data/Symmetry/C4h
Normal file
|
@ -0,0 +1,20 @@
|
|||
Group C4h
|
||||
n 6
|
||||
|
||||
Irred Operation
|
||||
1 Ag E
|
||||
2 Bg C4
|
||||
3 Eg C2
|
||||
4 Au i
|
||||
5 Bu S4
|
||||
6 Eu sh
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 1.00000 -1.00000 1.00000
|
||||
3 2.00000 0.00000 -2.00000 2.00000 0.00000 -2.00000
|
||||
4 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000
|
||||
5 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
6 2.00000 0.00000 -2.00000 -2.00000 0.00000 2.00000
|
||||
|
18
data/Symmetry/C4v
Normal file
18
data/Symmetry/C4v
Normal file
|
@ -0,0 +1,18 @@
|
|||
Group C4v
|
||||
n 5
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C4
|
||||
3 B1 C2
|
||||
4 B2 sv
|
||||
5 E sd
|
||||
|
||||
Table
|
||||
1 2 3 4 5
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 1.00000 -1.00000 1.00000 1.00000 -1.00000
|
||||
4 1.00000 -1.00000 1.00000 -1.00000 1.00000
|
||||
5 2.00000 0.00000 -2.00000 0.00000 0.00000
|
||||
|
14
data/Symmetry/C5
Normal file
14
data/Symmetry/C5
Normal file
|
@ -0,0 +1,14 @@
|
|||
Group C5
|
||||
n 3
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 E1 C5
|
||||
3 E2 C5^2
|
||||
|
||||
Table
|
||||
1 2 3
|
||||
1 1.00000 1.00000 1.00000
|
||||
2 2.00000 0.61800 -1.61800
|
||||
3 2.00000 -1.61800 0.61800
|
||||
|
20
data/Symmetry/C5h
Normal file
20
data/Symmetry/C5h
Normal file
|
@ -0,0 +1,20 @@
|
|||
Group C5h
|
||||
n 6
|
||||
|
||||
Irred Operation
|
||||
1 A' E
|
||||
2 A" C5
|
||||
3 E1' C5^2
|
||||
4 E1" sh
|
||||
5 E2' S5
|
||||
6 E2" S5^3
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000
|
||||
3 2.00000 0.61800 -1.61800 2.00000 0.61800 -1.61800
|
||||
4 2.00000 0.61800 -1.61800 -2.00000 -0.61800 1.61800
|
||||
5 2.00000 -1.61800 0.61800 2.00000 -1.61800 0.61800
|
||||
6 2.00000 -1.61800 0.61800 -2.00000 1.61800 -0.61800
|
||||
|
16
data/Symmetry/C5v
Normal file
16
data/Symmetry/C5v
Normal file
|
@ -0,0 +1,16 @@
|
|||
Group C5v
|
||||
n 4
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C5
|
||||
3 E1 C5^2
|
||||
4 E2 sv
|
||||
|
||||
Table
|
||||
1 2 3 4
|
||||
1 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 -1.00000
|
||||
3 2.00000 0.61800 -1.61800 0.00000
|
||||
4 2.00000 -1.61800 0.61800 0.00000
|
||||
|
16
data/Symmetry/C6
Normal file
16
data/Symmetry/C6
Normal file
|
@ -0,0 +1,16 @@
|
|||
Group C6
|
||||
n 4
|
||||
|
||||
Irred Operation
|
||||
1 A E
|
||||
2 B C6
|
||||
3 E1 C3
|
||||
4 E2 C2
|
||||
|
||||
Table
|
||||
1 2 3 4
|
||||
1 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000
|
||||
3 2.00000 1.00000 -1.00000 -2.00000
|
||||
4 2.00000 -1.00000 -1.00000 2.00000
|
||||
|
24
data/Symmetry/C6h
Normal file
24
data/Symmetry/C6h
Normal file
|
@ -0,0 +1,24 @@
|
|||
Group C6h
|
||||
n 8
|
||||
|
||||
Irred Operation
|
||||
1 Ag E
|
||||
2 Bg C6
|
||||
3 E1g C3
|
||||
4 E2g C2
|
||||
5 Au i
|
||||
6 Bu S6
|
||||
7 E1u S3
|
||||
8 E2u sh
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6 7 8
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 -1.00000 1.00000 -1.00000 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 2.00000 1.00000 -1.00000 -2.00000 2.00000 -1.00000 1.00000 -2.00000
|
||||
4 2.00000 -1.00000 -1.00000 2.00000 2.00000 -1.00000 -1.00000 2.00000
|
||||
5 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000 -1.00000 -1.00000
|
||||
6 1.00000 -1.00000 1.00000 -1.00000 -1.00000 -1.00000 1.00000 1.00000
|
||||
7 2.00000 1.00000 -1.00000 -2.00000 -2.00000 1.00000 -1.00000 2.00000
|
||||
8 2.00000 -1.00000 -1.00000 2.00000 -2.00000 1.00000 1.00000 -2.00000
|
||||
|
20
data/Symmetry/C6v
Normal file
20
data/Symmetry/C6v
Normal file
|
@ -0,0 +1,20 @@
|
|||
Group C6v
|
||||
n 6
|
||||
|
||||
Irred Operation
|
||||
1 A1 E
|
||||
2 A2 C6
|
||||
3 B1 C3
|
||||
4 B2 C2
|
||||
5 E1 sv
|
||||
6 E2 sd
|
||||
|
||||
Table
|
||||
1 2 3 4 5 6
|
||||
1 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000
|
||||
2 1.00000 1.00000 1.00000 1.00000 -1.00000 -1.00000
|
||||
3 1.00000 -1.00000 1.00000 -1.00000 1.00000 -1.00000
|
||||
4 1.00000 -1.00000 1.00000 -1.00000 -1.00000 1.00000
|
||||
5 2.00000 1.00000 -1.00000 -2.00000 0.00000 0.00000
|
||||
6 2.00000 -1.00000 -1.00000 2.00000 0.00000 0.00000
|
||||
|
Some files were not shown because too many files have changed in this diff Show More
Loading…
Reference in New Issue
Block a user