Oleg E. Peil 7e13c1cb5b Fixed inequivalent shell determination ... It was incorrect to ascribe VASP atomic sort to corr_shell['sort'], the latter having a different meaning. According to the terminology of Wien2k a sort determines an equivalence class of atoms. Since the implementation at the moment does not support symmetries the atom index is now used as a 'sort' index to make sure that all shells remain inequivalent.		2015-11-10 19:16:41 +01:00
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__init__.py	Added first draft of general converter to handle general H(k)	2014-04-02 17:54:31 +02:00
.gitignore	Reshuffled some files, added .gitignore	2015-10-21 11:54:22 +02:00
converter_tools.py	[doc] New documentation	2015-04-21 14:31:15 +02:00
hk_converter.py	[doc] New documentation	2015-04-21 14:31:15 +02:00
vasp_converter.py	Fixed inequivalent shell determination	2015-11-10 19:16:41 +01:00
wien2k_converter.py	Removes work around for issue #41	2015-08-10 16:14:51 +02:00