mirror of
https://github.com/triqs/dft_tools
synced 2024-07-17 08:30:35 +02:00
11d394fd5b
* 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
11 lines
688 B
Plaintext
11 lines
688 B
Plaintext
density matrix: [[[[ 0.48051801 -0.00059489 0.00000482 -0.00058151 -0.00000012]
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[-0.00059489 0.48106558 0.00000231 0.00070567 -0.00001428]
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[ 0.00000482 0.00000231 0.22376445 0.00000211 0.00000001]
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[-0.00058151 0.00070567 0.00000211 0.48455255 0.00001417]
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[-0.00000012 -0.00001428 0.00000001 0.00001417 0.22394771]]]]
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overlap matrix: [[[[ 0.88283203 0. -0. 0. -0. ]
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[ 0. 0.88283203 -0. 0. 0. ]
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[-0. -0. 0.48099646 -0. 0. ]
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[ 0. 0. -0. 0.88283204 -0. ]
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[-0. 0. 0. -0. 0.48082534]]]]
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