mirror of
https://github.com/triqs/dft_tools
synced 2024-07-17 16:33:46 +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
14 lines
344 B
Plaintext
14 lines
344 B
Plaintext
SrVO3
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3.841
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1.0000000000000000 0.0000000000000000 0.0000000000000000
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0.0000000000000000 1.0000000000000000 0.0000000000000000
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0.0000000000000000 0.0000000000000000 1.0000000000000000
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Sr V O
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1 1 3
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Direct
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0.5 0.5 0.5
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0.0 0.0 0.0
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0.5 0.0 0.0
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0.0 0.5 0.0
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0.0 0.0 0.5
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