3
0
mirror of https://github.com/triqs/dft_tools synced 2024-12-25 22:03:43 +01:00
dft_tools/test/python/hk_convert_hamiltonian.hk
Alexander Hampel 11d394fd5b synchronize dfttools with app4triqs structure
* moved the plovasp C++ code to c++/triqs_dft_tools/converters/vasp
* added global header triqs_dft_tools/triqs_dft_tools.hpp
* python dir based on single cmakelist file
* registered C++ tests for plovasp
* corrected imports for py3 tests for plovasp
* corrected block order in sigma_from_file and srvo3_Gloc
* exchanged ref files for sigma_from_file, srvo3_Gloc, SrVO3.ref.h5
* moved vasp converter bash scripts from dir shells to bin dir
2020-06-10 17:45:53 +02:00

170 lines
5.9 KiB
Plaintext

27
1.0
1
0 0 2 3
1
0 0 2 3 0 1
2 2 3
-0.99637800 0.00000000 0.00000000
0.00000000 -0.99637800 0.00000000
0.00000000 0.00000000 -0.99637800
0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
-0.90056700 0.00000000 0.00000000
0.00000000 0.58187406 0.00000000
0.00000000 0.00000000 0.58187406
0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
-0.90056701 0.00000000 0.00000000
0.00000000 0.58187389 0.00000000
0.00000000 0.00000000 0.58187389
0.00000000 -0.00000000 0.00000000
-0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
0.58187406 0.00000000 0.00000000
0.00000000 0.58187406 0.00000000
0.00000000 0.00000000 -0.90056700
0.00000000 0.00000000 0.00000000
0.00000000 -0.00000000 -0.00000000
0.00000000 -0.00000000 -0.00000000
0.57772205 -0.00000000 -0.04829400
-0.00000000 0.90099002 0.00000000
-0.04829400 0.00000000 0.57772205
-0.00000000 -0.00000000 0.00000000
-0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 -0.00000000
0.57772205 -0.00000000 0.04829400
-0.00000000 0.90098999 0.00000000
0.04829400 0.00000000 0.57772189
-0.00000000 0.00000000 0.00000000
0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 -0.00000000
0.58187389 0.00000000 0.00000000
0.00000000 0.58187389 0.00000000
0.00000000 0.00000000 -0.90056701
-0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 -0.00000000
0.57772189 -0.00000000 0.04829400
-0.00000000 0.90098999 0.00000000
0.04829400 0.00000000 0.57772205
-0.00000000 -0.00000000 0.00000000
-0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 -0.00000000
0.57772189 0.00000000 -0.04829401
0.00000000 0.90098995 0.00000000
-0.04829401 0.00000000 0.57772189
-0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
0.58187406 0.00000000 0.00000000
0.00000000 -0.90056700 0.00000000
0.00000000 0.00000000 0.58187406
-0.00000000 0.00000000 0.00000000
0.00000000 -0.00000000 -0.00000000
0.00000000 -0.00000000 -0.00000000
0.57772205 -0.04829400 -0.00000000
-0.04829400 0.57772205 0.00000000
-0.00000000 0.00000000 0.90099002
0.00000000 -0.00000000 0.00000000
-0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 -0.00000000
0.57772205 0.04829400 -0.00000000
0.04829400 0.57772189 0.00000000
-0.00000000 0.00000000 0.90098999
0.00000000 -0.00000000 0.00000000
-0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
0.90099002 0.00000000 0.00000000
0.00000000 0.57772205 -0.04829400
0.00000000 -0.04829400 0.57772205
-0.00000000 0.00000000 0.00000000
0.00000000 -0.00000000 -0.00000000
0.00000000 -0.00000000 -0.00000000
1.06798204 -0.01598400 -0.01598400
-0.01598400 1.06798204 -0.01598400
-0.01598400 -0.01598400 1.06798204
-0.00000000 -0.00000000 -0.00000000
-0.00000000 -0.00000000 0.00000000
-0.00000000 0.00000000 -0.00000000
1.06798202 0.01598400 0.01598400
0.01598400 1.06798199 -0.01598400
0.01598400 -0.01598400 1.06798199
-0.00000000 -0.00000000 -0.00000000
-0.00000000 0.00000000 0.00000000
-0.00000000 0.00000000 0.00000000
0.90098999 0.00000000 0.00000000
0.00000000 0.57772189 0.04829400
0.00000000 0.04829400 0.57772205
0.00000000 0.00000000 0.00000000
0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 -0.00000000
1.06798199 -0.01598400 0.01598400
-0.01598400 1.06798199 0.01598400
0.01598400 0.01598400 1.06798202
-0.00000000 -0.00000000 -0.00000000
-0.00000000 -0.00000000 0.00000000
-0.00000000 0.00000000 0.00000000
1.06798197 0.01598400 -0.01598400
0.01598400 1.06798194 0.01598400
-0.01598400 0.01598400 1.06798197
-0.00000000 -0.00000000 -0.00000000
-0.00000000 0.00000000 0.00000000
-0.00000000 0.00000000 -0.00000000
0.58187389 0.00000000 0.00000000
0.00000000 -0.90056701 0.00000000
0.00000000 0.00000000 0.58187389
0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 0.00000000
0.57772189 0.04829400 0.00000000
0.04829400 0.57772205 -0.00000000
0.00000000 -0.00000000 0.90098999
-0.00000000 0.00000000 0.00000000
0.00000000 -0.00000000 0.00000000
0.00000000 0.00000000 -0.00000000
0.57772189 -0.04829401 -0.00000000
-0.04829401 0.57772189 0.00000000
-0.00000000 0.00000000 0.90098995
-0.00000000 -0.00000000 0.00000000
-0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 -0.00000000
0.90098999 0.00000000 0.00000000
0.00000000 0.57772205 0.04829400
0.00000000 0.04829400 0.57772189
-0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 -0.00000000
1.06798199 0.01598400 -0.01598400
0.01598400 1.06798202 0.01598400
-0.01598400 0.01598400 1.06798199
0.00000000 -0.00000000 -0.00000000
-0.00000000 0.00000000 -0.00000000
-0.00000000 -0.00000000 0.00000000
1.06798197 -0.01598400 0.01598400
-0.01598400 1.06798197 0.01598400
0.01598400 0.01598400 1.06798194
0.00000000 -0.00000000 -0.00000000
-0.00000000 -0.00000000 -0.00000000
-0.00000000 -0.00000000 -0.00000000
0.90098995 0.00000000 0.00000000
0.00000000 0.57772189 -0.04829401
0.00000000 -0.04829401 0.57772189
0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 -0.00000000
0.00000000 -0.00000000 0.00000000
1.06798194 0.01598400 0.01598400
0.01598400 1.06798197 -0.01598400
0.01598400 -0.01598400 1.06798197
-0.00000000 0.00000000 -0.00000000
0.00000000 0.00000000 0.00000000
-0.00000000 0.00000000 0.00000000
1.06798192 -0.01598400 -0.01598400
-0.01598400 1.06798192 -0.01598400
-0.01598400 -0.01598400 1.06798192
0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000
0.00000000 0.00000000 0.00000000