mirror of
https://github.com/triqs/dft_tools
synced 2024-11-18 12:03:50 +01:00
11d394fd5b
* 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
123 lines
2.1 KiB
Plaintext
123 lines
2.1 KiB
Plaintext
nktot = 10
|
|
ntet = 107
|
|
volt = 0.00133333333333
|
|
kpts:
|
|
[[ 0. 0. 0. ]
|
|
[ 0.2 0. 0. ]
|
|
[ 0.4 0. 0. ]
|
|
[ 0.2 0.2 0. ]
|
|
[ 0.4 0.2 -0. ]
|
|
[ 0.2 0.2 0.2]
|
|
[-0.2 0.2 0.2]
|
|
[-0.4 0.4 0.2]
|
|
[-0.4 -0.4 0.2]
|
|
[-0.4 0.4 0.4]]
|
|
tets:
|
|
[[ 4 1 2 2 4]
|
|
[12 2 2 4 4]
|
|
[ 4 2 4 4 6]
|
|
[ 4 2 3 4 5]
|
|
[ 4 2 4 4 5]
|
|
[12 4 4 5 6]
|
|
[16 3 4 5 5]
|
|
[28 4 5 5 6]
|
|
[ 8 4 5 6 6]
|
|
[ 4 3 3 4 5]
|
|
[12 3 4 4 5]
|
|
[ 4 4 4 4 5]
|
|
[ 4 2 2 3 4]
|
|
[12 2 3 4 4]
|
|
[ 8 2 4 4 4]
|
|
[ 8 2 2 2 4]
|
|
[12 2 2 4 7]
|
|
[12 2 4 4 7]
|
|
[ 8 1 2 2 2]
|
|
[ 4 2 2 2 2]
|
|
[ 4 2 2 2 7]
|
|
[16 5 5 6 6]
|
|
[12 3 4 5 6]
|
|
[ 8 3 5 5 6]
|
|
[ 8 3 4 4 6]
|
|
[ 4 3 4 6 8]
|
|
[ 4 3 5 6 8]
|
|
[ 4 3 4 4 4]
|
|
[ 4 3 4 4 8]
|
|
[ 8 4 4 7 8]
|
|
[ 4 4 4 8 8]
|
|
[ 4 2 2 3 7]
|
|
[16 2 3 4 7]
|
|
[12 3 4 7 8]
|
|
[ 4 3 4 5 7]
|
|
[ 4 3 5 7 8]
|
|
[ 4 3 5 5 5]
|
|
[12 3 5 5 8]
|
|
[16 5 5 8 9]
|
|
[24 3 4 5 8]
|
|
[ 8 4 5 8 8]
|
|
[ 4 5 8 8 8]
|
|
[16 5 8 8 9]
|
|
[ 4 3 3 4 8]
|
|
[12 3 5 8 8]
|
|
[12 3 3 5 8]
|
|
[ 4 3 4 8 8]
|
|
[ 8 4 5 5 9]
|
|
[12 4 5 8 9]
|
|
[ 4 4 7 8 9]
|
|
[ 4 2 3 5 8]
|
|
[ 4 2 4 5 8]
|
|
[ 8 2 4 7 8]
|
|
[12 2 3 4 8]
|
|
[ 4 2 2 4 8]
|
|
[ 4 2 2 7 8]
|
|
[ 4 1 2 4 7]
|
|
[ 8 1 2 2 7]
|
|
[ 4 2 3 4 6]
|
|
[ 4 3 5 6 6]
|
|
[ 8 5 6 6 6]
|
|
[ 8 5 5 5 6]
|
|
[ 4 4 4 5 5]
|
|
[16 4 5 5 8]
|
|
[ 4 3 4 4 7]
|
|
[ 4 3 7 8 8]
|
|
[ 8 4 4 5 8]
|
|
[ 4 5 5 6 9]
|
|
[ 4 4 5 6 8]
|
|
[ 4 5 5 6 8]
|
|
[ 8 5 8 8 10]
|
|
[ 8 5 8 9 10]
|
|
[ 4 4 7 8 8]
|
|
[ 4 4 8 8 8]
|
|
[ 8 8 8 8 10]
|
|
[ 4 7 8 8 8]
|
|
[ 4 8 8 8 9]
|
|
[20 8 8 9 10]
|
|
[ 4 4 5 7 8]
|
|
[ 4 5 7 8 8]
|
|
[ 4 5 5 5 8]
|
|
[ 4 5 8 9 9]
|
|
[ 8 8 9 9 10]
|
|
[ 6 9 9 10 10]
|
|
[12 8 9 10 10]
|
|
[ 4 8 8 10 10]
|
|
[ 8 4 8 8 9]
|
|
[ 4 3 4 5 9]
|
|
[ 4 3 4 8 9]
|
|
[ 4 7 8 9 10]
|
|
[ 4 7 8 8 10]
|
|
[ 4 4 7 8 10]
|
|
[ 4 2 4 8 8]
|
|
[ 4 2 7 8 8]
|
|
[ 4 2 4 4 8]
|
|
[ 4 3 3 5 6]
|
|
[ 4 4 5 5 5]
|
|
[ 4 3 5 8 9]
|
|
[ 4 3 8 8 9]
|
|
[ 6 5 5 8 8]
|
|
[ 2 3 3 5 5]
|
|
[ 4 4 5 6 9]
|
|
[ 4 4 8 9 10]
|
|
[ 4 8 10 10 10]
|
|
[ 6 8 8 9 9]
|
|
[ 4 9 10 10 10]
|
|
[ 2 10 10 10 10]]
|