diff --git a/bin/CMakeLists.txt b/bin/CMakeLists.txt index 0d5af60b..8e0eb094 100644 --- a/bin/CMakeLists.txt +++ b/bin/CMakeLists.txt @@ -7,3 +7,7 @@ configure_file(vasp_dmft.in vasp_dmft) install(FILES ${CMAKE_CURRENT_BINARY_DIR}/vasp_dmft DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE) +configure_file(init_dmftpr.in init_dmftpr) +install(FILES ${CMAKE_CURRENT_BINARY_DIR}/init_dmftpr DESTINATION bin + PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE) + diff --git a/bin/init_dmftpr b/bin/init_dmftpr.in similarity index 100% rename from bin/init_dmftpr rename to bin/init_dmftpr.in diff --git a/doc/guide/conv_wien2k.rst b/doc/guide/conv_wien2k.rst index ff37042a..895bdaa0 100644 --- a/doc/guide/conv_wien2k.rst +++ b/doc/guide/conv_wien2k.rst @@ -93,6 +93,8 @@ The third number is an optional flag to switch between different modes: In all modes the used energy range, i.e. band range, is printed to the :program:`dmftproj` output. +We also provide a simple python script `init_dmftpr` that creates the input file +interactively with user input in the shell, when executed in the wien2k run dir. After setting up the :file:`case.indmftpr` input file, you run: `dmftproj`