mirror of
https://github.com/triqs/dft_tools
synced 2024-12-23 21:03:45 +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
31 lines
338 B
INI
31 lines
338 B
INI
[General]
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BASENAME = test_base
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EFERMI = 0.1
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DOSMESH = -8.0 4.0 101
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[Group 1]
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SHELLS = 1 2
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EWINDOW = -7.6 3.0
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[Group 2]
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SHELLS = 3
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EWINDOW = -1.6 2.0
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[Shell 1]
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LSHELL = 2
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IONS = 5..8
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[Shell 2]
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LSHELL = 1
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IONS = 1..4
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TRANSFORM = 0.0 1.0 0.0
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1.0 0.0 0.0
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0.0 0.0 1.0
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[Shell 3]
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LSHELL = 3
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IONS = 1..4
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