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add init_dmftpr to cmake lists and adapt documentation
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@ -7,3 +7,7 @@ configure_file(vasp_dmft.in vasp_dmft)
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install(FILES ${CMAKE_CURRENT_BINARY_DIR}/vasp_dmft DESTINATION bin
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install(FILES ${CMAKE_CURRENT_BINARY_DIR}/vasp_dmft DESTINATION bin
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PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
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PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
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configure_file(init_dmftpr.in init_dmftpr)
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install(FILES ${CMAKE_CURRENT_BINARY_DIR}/init_dmftpr DESTINATION bin
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PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE)
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@ -93,6 +93,8 @@ The third number is an optional flag to switch between different modes:
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In all modes the used energy range, i.e. band range, is printed to the
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In all modes the used energy range, i.e. band range, is printed to the
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:program:`dmftproj` output.
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:program:`dmftproj` output.
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We also provide a simple python script `init_dmftpr` that creates the input file
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interactively with user input in the shell, when executed in the wien2k run dir.
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After setting up the :file:`case.indmftpr` input file, you run:
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After setting up the :file:`case.indmftpr` input file, you run:
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`dmftproj`
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`dmftproj`
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