Oleg E. Peil 2bb45c775c Fixed 'proj_shell' test suite ... This test suite is based on V d-projectors in SrVO3. The data have been recalculated to obtain the correct format of LOCPROJ. Also, some small but important changes are introduced to the LOCPROJ parser and class ElectronicStructure. Specifically, eigenvalues, Fermi-weights, and Fermi level are now read from LOCPROJ instead of EIGENVAL and DOSCAR. Besides, LOCPROJ now provides the value of NCDIJ instead of NSPIN. Basically, with these changes EIGENVAL and DOSCAR are no longer needed. Although corresponding parseres will remain in 'vaspio.py' they will not be used for standard operations.		2016-03-24 19:34:29 +01:00
..
examples	Fixed 'proj_shell' test suite	2016-03-24 19:34:29 +01:00
__init__.py	Added copyright disclaimers to PLOVasp sources	2016-02-01 14:06:41 +01:00
.gitignore	Moved PLOVasp files to converters/plovasp	2015-11-27 10:48:15 +01:00
atm_desc.py	Added wrapper description file for ATM	2016-03-09 19:04:05 +01:00
CMakeLists.txt	Fixed 'atm' test	2016-03-24 14:30:50 +01:00
converter.py	Added a shell script for running PLOVasp converter	2016-03-11 11:35:19 +01:00
elstruct.py	Fixed 'proj_shell' test suite	2016-03-24 19:34:29 +01:00
inpconf.py	Added copyright disclaimers to PLOVasp sources	2016-02-01 14:06:41 +01:00
plotools.py	Added output of local Hamiltonian	2016-02-09 13:48:39 +01:00
proj_group.py	Added copyright disclaimers to PLOVasp sources	2016-02-01 14:06:41 +01:00
proj_shell.py	Modified import of ATM to make it optional	2016-03-10 16:53:17 +01:00
sc_dmft.py	Added a charge self-consistency script	2016-03-11 18:49:29 +01:00
vaspio.py	Fixed 'proj_shell' test suite	2016-03-24 19:34:29 +01:00