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
..
converters	Fixed 'proj_shell' test suite	2016-03-24 19:34:29 +01:00
__init__.py	Moved U_matrix to TRIQS library	2015-06-17 18:19:30 +02:00
.gitignore	Reshuffled some files, added .gitignore	2015-10-21 11:54:22 +02:00
clear_h5_output.py	Fix subgroup name in clear_h5_output.py	2015-03-12 11:01:02 +01:00
CMakeLists.txt	Added a shell script for running PLOVasp converter	2016-03-11 11:35:19 +01:00
sumk_dft_tools.py	Adapt to complex g(tau)	2015-12-12 14:30:06 +01:00
sumk_dft.py	Added calculation of GAMMA to SumkDFT	2016-03-16 16:18:52 +01:00
symmetry.py	Removes work around for issue #41	2015-08-10 16:14:51 +02:00
trans_basis.py	[doc] New documentation	2015-04-21 14:31:15 +02:00
update_archive.py	Unify notation in sumk_dft_tools.	2015-01-22 10:47:53 +01:00
version.py.in	Able to get dft_tools hash now	2016-02-07 10:43:23 +01:00