phono3py/example
Atsushi Togo 3d50a56642 Fix unit conversion to calculate force constants 2023-11-19 19:02:48 +09:00
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AlN-LDA READMEs were changed to .md 2022-03-17 19:24:38 +09:00
NaCl-alm Add tests for phono3py-load script 2023-07-02 18:14:23 +09:00
Si-CRYSTAL Refactoring using pre-commit setting 2021-10-15 16:49:41 +09:00
Si-LDA READMEs were changed to .md 2022-03-17 19:24:38 +09:00
Si-PBE READMEs were changed to .md 2022-03-17 19:24:38 +09:00
Si-PBEsol Minor refactoring 2022-10-27 09:37:50 +09:00
Si-QE Fix unit conversion to calculate force constants 2023-11-19 19:02:48 +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 READMEs were changed to .md 2022-03-17 19:24:38 +09:00