add init_dmftpr to cmake lists and adapt documentation

70akaline · Nov 9, 2021 · b16374b · b16374b
1 parent 0d25d7e
commit b16374b
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diff --git 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 → bin/init_dmftpr.in b/bin/init_dmftpr → bin/init_dmftpr.in
diff --git 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`