mirror of
https://github.com/triqs/dft_tools
synced 2024-12-23 12:55:17 +01:00
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
123 lines
2.1 KiB
Plaintext
123 lines
2.1 KiB
Plaintext
nktot = 10
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ntet = 107
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volt = 0.00133333333333
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kpts:
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[[ 0. 0. 0. ]
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[ 0.2 0. 0. ]
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[ 0.4 0. 0. ]
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[ 0.2 0.2 0. ]
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[ 0.4 0.2 -0. ]
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[ 0.2 0.2 0.2]
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[-0.2 0.2 0.2]
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[-0.4 0.4 0.2]
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[-0.4 -0.4 0.2]
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[-0.4 0.4 0.4]]
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tets:
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[[ 4 1 2 2 4]
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[12 2 2 4 4]
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[ 4 2 4 4 6]
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[ 4 2 3 4 5]
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[ 4 2 4 4 5]
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[12 4 4 5 6]
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[16 3 4 5 5]
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[28 4 5 5 6]
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[ 8 4 5 6 6]
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[ 4 3 3 4 5]
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[12 3 4 4 5]
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[ 4 4 4 4 5]
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[ 4 2 2 3 4]
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[12 2 3 4 4]
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[ 8 2 4 4 4]
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[ 8 2 2 2 4]
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[12 2 2 4 7]
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[12 2 4 4 7]
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[ 8 1 2 2 2]
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[ 4 2 2 2 2]
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[ 4 2 2 2 7]
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[16 5 5 6 6]
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[12 3 4 5 6]
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[ 8 3 5 5 6]
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[ 8 3 4 4 6]
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[ 4 3 4 6 8]
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[ 4 3 5 6 8]
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[ 4 3 4 4 4]
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[ 4 3 4 4 8]
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[ 8 4 4 7 8]
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[ 4 4 4 8 8]
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[ 4 2 2 3 7]
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[16 2 3 4 7]
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[12 3 4 7 8]
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[ 4 3 4 5 7]
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[ 4 3 5 7 8]
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[ 4 3 5 5 5]
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[12 3 5 5 8]
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[16 5 5 8 9]
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[24 3 4 5 8]
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[ 8 4 5 8 8]
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[ 4 5 8 8 8]
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[16 5 8 8 9]
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[ 4 3 3 4 8]
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[12 3 5 8 8]
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[12 3 3 5 8]
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[ 4 3 4 8 8]
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[ 8 4 5 5 9]
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[12 4 5 8 9]
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[ 4 4 7 8 9]
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[ 4 2 3 5 8]
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[ 4 2 4 5 8]
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[ 8 2 4 7 8]
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[12 2 3 4 8]
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[ 4 2 2 4 8]
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[ 4 2 2 7 8]
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[ 4 1 2 4 7]
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[ 8 1 2 2 7]
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[ 4 2 3 4 6]
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[ 4 3 5 6 6]
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[ 8 5 6 6 6]
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[ 8 5 5 5 6]
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[ 4 4 4 5 5]
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[16 4 5 5 8]
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[ 4 3 4 4 7]
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[ 4 3 7 8 8]
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[ 8 4 4 5 8]
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[ 4 5 5 6 9]
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[ 4 4 5 6 8]
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[ 4 5 5 6 8]
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[ 8 5 8 8 10]
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[ 8 5 8 9 10]
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[ 4 4 7 8 8]
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[ 4 4 8 8 8]
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[ 8 8 8 8 10]
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[ 4 7 8 8 8]
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[ 4 8 8 8 9]
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[20 8 8 9 10]
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[ 4 4 5 7 8]
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[ 4 5 7 8 8]
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[ 4 5 5 5 8]
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[ 4 5 8 9 9]
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[ 8 8 9 9 10]
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[ 6 9 9 10 10]
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[12 8 9 10 10]
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[ 4 8 8 10 10]
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[ 8 4 8 8 9]
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[ 4 3 4 5 9]
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[ 4 3 4 8 9]
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[ 4 7 8 9 10]
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[ 4 7 8 8 10]
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[ 4 4 7 8 10]
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[ 4 2 4 8 8]
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[ 4 2 7 8 8]
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[ 4 2 4 4 8]
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[ 4 3 3 5 6]
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[ 4 4 5 5 5]
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[ 4 3 5 8 9]
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[ 4 3 8 8 9]
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[ 6 5 5 8 8]
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[ 2 3 3 5 5]
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[ 4 4 5 6 9]
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[ 4 4 8 9 10]
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[ 4 8 10 10 10]
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[ 6 8 8 9 9]
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[ 4 9 10 10 10]
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[ 2 10 10 10 10]]
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