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[r472] by paulatz

Simple quasi-harmonic implementation, still in progress

2019-04-28 10:08:03 Tree
[r471] by paulatz

fc2mat2R now can be used for more than 33 atoms

import_phononpy split in a code for VASP generated force constant file (untested) and a QE one (tested)

2019-04-04 09:28:28 Tree
[r470] by paulatz

Doc updated 2

2019-03-04 16:57:07 Tree
[r469] by paulatz

Doc updated

2019-03-04 16:25:30 Tree
[r468] by paulatz

Added little trik to stop deleting my own project

2019-03-04 15:51:57 Tree
[r467] by paulatz

Restart of tk improved, now it works as before but it is more consistent, also CG tk creates a diferent output file for each iteration

CG tk with random grid seems to be not variationalm, this would require some investigation, but I think it is the usual detailed balance theorem that is not respected, so I'm disabling it for the moment

2019-02-28 09:44:17 Tree
[r466] by paulatz

Example updated

2019-02-25 11:40:13 Tree
[r465] by paulatz

Examples updated

2019-02-25 11:23:41 Tree
[r464] by paulatz

Example updated

2019-02-25 11:15:22 Tree
[r463] by paulatz

Removed twfcollect and lkpoint_dir

2019-02-22 12:50:27 Tree
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