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1bfacd3883
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10 Commits

Author SHA1 Message Date
Oleg E. Peil
1bfacd3883 Fixed the input of f-state projectors from LOCPROJ 2015-12-03 14:19:08 +01:00
Oleg E. Peil
e35c6fd5c0 Fixed some files in examples 
Scripts 'run_plovasp.sh' have been replaced by a template in which
the path must be set by the user.
Also, .gitignore has been added to example 'lunio3'.
 2015-12-01 13:24:58 +01:00
Oleg E. Peil
22da0dae4a Added example on SrVO3 2015-12-01 13:19:24 +01:00
Oleg E. Peil
921bba0c1a Added a spin factor to density matrix in 'elstruct.py' 2015-12-01 11:18:44 +01:00
Oleg E. Peil
3620784798 Replaced R- and C-TRANSFORM with TRANSFORM option 
Also, some tests were modified accordingly.
 2015-11-30 20:24:34 +01:00
Oleg E. Peil
f0fae2b10a Fixed tests to pass with new LOCPROJ 2015-11-30 20:18:17 +01:00
Oleg E. Peil
3ccb047329 Fixed example 'simple' and corresponding tests 
The calculation of the example was redone to generate LOCPROJ
in a new format (valid starting from VASP 5.4.2).
 2015-11-30 19:52:38 +01:00
Oleg E. Peil
1fd2a1af6a Added a parser for the new LOCPROJ (VASP >= 5.4.2) 2015-11-27 15:38:51 +01:00
Oleg E. Peil
46b3dd0667 Renamed module 'c/vasp' to 'c/plovasp' 2015-11-27 10:52:07 +01:00
Oleg E. Peil
0d65f38a61 Moved PLOVasp files to converters/plovasp 2015-11-27 10:48:15 +01:00