phono3py/example
Atsushi Togo 648aceac10 Update doc 2024-08-08 11:19:11 +09:00
..
AlN-LDA Update README.md in examples and fix CLI bugs 2024-08-07 18:51:13 +09:00
NaCl-alm Update README.md in examples and fix CLI bugs 2024-08-07 18:51:13 +09:00
NaCl-rd Fix handling datasets with random disps and update docs 2024-08-04 17:27:30 +09:00
Si-CRYSTAL Update doc 2024-08-08 11:19:11 +09:00
Si-LDA Update README.md in examples and fix CLI bugs 2024-08-07 18:51:13 +09:00
Si-PBE Update README.md in examples and fix CLI bugs 2024-08-07 18:51:13 +09:00
Si-PBEsol Update README.md in examples and fix CLI bugs 2024-08-07 18:51:13 +09:00
Si-QE Update README.md in examples and fix CLI bugs 2024-08-07 18:51:13 +09:00
Si-TURBOMOLE Refactoring using pre-commit setting 2021-10-15 16:49:41 +09:00
Wigner_La2Zr2O7 Added example on how to use the --wigner option with --read-gamma in La2Zr2O7. fc2 have been compressed as much as possible (they were imported from a DFPT calculation with QE) and only two temperatures are reported in the example. Output file tc_La2Zr2O7.out has been compressed to reduce the size. Total file size is now about 1.5MB (before compressing tc_La2Zr2O7.out was 2.3 MB). 2022-05-28 14:14:31 +01:00
zb-ZnTe-PBEsol [pre-commit.ci] auto fixes from pre-commit.com hooks 2024-01-29 21:20:40 +00:00