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dft_tools/test/plovasp/proj_shell
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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
..
one_site Fixed 'proj_shell' test suite 2016-03-24 19:34:29 +01:00
__init__.py Fixed tests to make them runnable with build pytriqs 2016-03-10 12:24:05 +01:00
.gitignore Fixed tests to make them runnable with build pytriqs 2016-03-10 12:24:05 +01:00
densmat.out Fixed 'proj_shell' test suite 2016-03-24 19:34:29 +01:00
example.cfg Fixed tests to make them runnable with build pytriqs 2016-03-10 12:24:05 +01:00
mytest.py Fixed tests to make them runnable with build pytriqs 2016-03-10 12:24:05 +01:00
projshells.out Fixed 'proj_shell' test suite 2016-03-24 19:34:29 +01:00
rpath.py Fixed tests to make them runnable with build pytriqs 2016-03-10 12:24:05 +01:00
runtest.sh Fixed tests to make them runnable with build pytriqs 2016-03-10 12:24:05 +01:00
test_all.py Fixed tests to make them runnable with build pytriqs 2016-03-10 12:24:05 +01:00
test_projshells.py Fixed 'proj_shell' test suite 2016-03-24 19:34:29 +01:00