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Al-QHA
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Update examples to adopt python 3.x. The change is mainly to make print compatible.
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2017-05-05 15:17:21 +09:00 |
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Al-hiphive
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small changes to make symprec work and hiphive work through CUI
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2020-02-08 12:15:49 +01:00 |
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Al2O3
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Update examples to adopt python 3.x. The change is mainly to make print compatible.
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2017-05-05 15:17:21 +09:00 |
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CaTiO3
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Commit version 1.6.3
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2012-12-11 17:15:20 +09:00 |
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Cr
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Add an example of MAGMOM tag
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2014-12-02 12:29:55 +09:00 |
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Cu-QHA
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Fix Cu-QHA README
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2019-04-03 22:57:43 +09:00 |
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Graphene-siesta
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Minor update of siesta examples
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2015-10-14 16:43:08 +09:00 |
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LiF-nosym
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Commit version 1.6.3
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2012-12-11 17:15:20 +09:00 |
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MgB2
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Update examples to adopt python 3.x. The change is mainly to make print compatible.
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2017-05-05 15:17:21 +09:00 |
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MgO
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Commit version 1.6.3
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2012-12-11 17:15:20 +09:00 |
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NaCl
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Updated Si and NaCl examples
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2020-05-21 17:02:09 +09:00 |
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NaCl-CP2K
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Collection of minor updates around parsing input files, mainly crystal structure
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2020-02-25 14:37:23 +09:00 |
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NaCl-CRYSTAL
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CRYSTAL interface updated to work with CRYSTAL17.
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2018-06-10 17:34:36 +03:00 |
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NaCl-QE
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Collection of minor updates around parsing input files, mainly crystal structure
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2020-02-25 14:37:23 +09:00 |
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NaCl-QE-q2r
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Update document
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2020-02-29 12:17:17 +09:00 |
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NaCl-VASPdfpt
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Commit version 1.6.3
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2012-12-11 17:15:20 +09:00 |
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NaCl-abinit
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User interface is largely modified to accept various force calculators.
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2014-10-31 12:38:13 +09:00 |
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NaCl-gruneisen
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Very minor update of README in NaCl-gruneisen
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2018-07-23 13:53:34 +09:00 |
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NaCl-wien2k
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User interface is largely modified to accept various force calculators.
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2014-10-31 12:38:13 +09:00 |
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NaCl-wien2k-P1
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User interface is largely modified to accept various force calculators.
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2014-10-31 12:38:13 +09:00 |
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Si
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Updated Si and NaCl examples
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2020-05-21 17:02:09 +09:00 |
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Si-CP2K
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cp2k: implement full cell spec parsing
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2019-10-10 11:10:20 +02:00 |
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Si-CRYSTAL
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Small modifications to CRYSTAL and TURBOMOLE documentation
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2019-03-25 21:54:38 +02:00 |
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Si-QE
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Collection of minor updates around parsing input files, mainly crystal structure
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2020-02-25 14:37:23 +09:00 |
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Si-QHA
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Update README of Si-QHA
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2018-08-07 14:56:52 +09:00 |
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Si-TURBOMOLE
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TURBOMOLE example: renamed pre-calculated data directory from
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2020-02-27 22:28:08 +02:00 |
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Si-abinit
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User interface is largely modified to accept various force calculators.
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2014-10-31 12:38:13 +09:00 |
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Si-elk
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Add Elk Si example
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2015-06-26 19:43:29 +09:00 |
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Si-gruneisen
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Mesh mode of mode Gruneisen parameter API is improved. The usage is found in Si-gruneisen.py example.
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2017-11-02 18:10:03 +09:00 |
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Si-nosym
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Fix --nosym and add its example
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2017-11-02 10:20:42 +09:00 |
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Si-siesta
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Minor update of siesta examples
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2015-10-14 16:43:08 +09:00 |
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SiO2-HP
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Update examples
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2016-09-14 16:57:58 +09:00 |
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SnO2
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SnO2 rutile example
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2013-06-20 15:43:51 +09:00 |
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TiO2-anatase
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Commit version 1.6.3
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2012-12-11 17:15:20 +09:00 |
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ZnO
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Commit version 1.6.3
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2012-12-11 17:15:20 +09:00 |
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ase
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Update example of phonopy-api with gpaw
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2017-07-31 12:26:10 +09:00 |
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diamond-FHI-aims
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Update document
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2020-02-29 12:17:17 +09:00 |
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diamond-dftb
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Merge branch 'master' into dftb
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2019-01-10 12:33:28 +00:00 |
82bf894f3b