Janosh Riebesell ece67a3201 fix typos and add codespell pre-commit hooks to catch future typos		2025-02-04 13:41:45 -05:00
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AlN-LDA	Update README.md in examples and fix CLI bugs	2024-08-07 18:51:13 +09:00
NaCl-alm	fix typos and add codespell pre-commit hooks to catch future typos	2025-02-04 13:41:45 -05:00
NaCl-pypolymlp	Update pypolymlp example	2025-01-13 16:19:45 +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
Si-wien2k	Include total energy in supercell scf files	2024-12-28 08:17:04 +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