mirror of
https://github.com/triqs/dft_tools
synced 2024-11-18 03:53:48 +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
51 lines
1.2 KiB
Plaintext
51 lines
1.2 KiB
Plaintext
1 1 1 1
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1.000000000000000E-004
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11 4 9
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0.0000000E+00 0.0000000E+00 0.0000000E+00 0.3703704E-01
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1 -31.099965
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2 -31.099965
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5 5.974027
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6 5.974027
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7 5.974027
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8 7.986328
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9 7.986328
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0.3333333E+00 0.0000000E+00 0.0000000E+00 0.4444444E+00
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1 -31.819277
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2 -31.322999
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3 -31.105684
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4 2.193081
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6 5.839340
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7 7.833446
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8 8.202781
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0.3333333E+00 0.3333333E+00 0.0000000E+00 0.2962963E+00
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4 3.978315
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9 14.771374
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-0.3333333E+00 0.3333333E+00 0.3333333E+00 0.2222222E+00
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1 -31.719893
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4 3.383714
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5 3.756320
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8 8.411511
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9 11.054129
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