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dft_tools/test/python/plovasp/proj_shell/one_site
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Alexander Hampel 11d394fd5b synchronize dfttools with app4triqs structure 
* moved the plovasp C++ code to c++/triqs_dft_tools/converters/vasp
* added global header triqs_dft_tools/triqs_dft_tools.hpp
* python dir based on single cmakelist file
* registered C++ tests for plovasp
* corrected imports for py3 tests for plovasp
* corrected block order in sigma_from_file and srvo3_Gloc
* exchanged ref files for sigma_from_file, srvo3_Gloc, SrVO3.ref.h5
* moved vasp converter bash scripts from dir shells to bin dir
2020-06-10 17:45:53 +02:00
..
DOSCAR synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
IBZKPT synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
LOCPROJ synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
POSCAR synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
PROJCAR synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00
readme.txt synchronize dfttools with app4triqs structure 2020-06-10 17:45:53 +02:00

readme.txt 

  A remark on how to get nice test results for a very small k-mesh.

  To reproduce this test one first performs a self-consistent cacluation of SrVO3
with 8x8x8 k-points and then obtains projectors (LOCPROJ) with a non-selfconsistent
calculation for the grid 3x3x3.