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mirror of https://github.com/triqs/dft_tools synced 2024-10-31 19:23:45 +01:00
dft_tools/test/python/plovasp/proj_shell/densmat.out
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

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density matrix: [[[[ 0.48051801 -0.00059489 0.00000482 -0.00058151 -0.00000012]
[-0.00059489 0.48106558 0.00000231 0.00070567 -0.00001428]
[ 0.00000482 0.00000231 0.22376445 0.00000211 0.00000001]
[-0.00058151 0.00070567 0.00000211 0.48455255 0.00001417]
[-0.00000012 -0.00001428 0.00000001 0.00001417 0.22394771]]]]
overlap matrix: [[[[ 0.88283203 0. -0. 0. -0. ]
[ 0. 0.88283203 -0. 0. 0. ]
[-0. -0. 0.48099646 -0. 0. ]
[ 0. 0. -0. 0.88283204 -0. ]
[-0. 0. 0. -0. 0.48082534]]]]