[Wien] lapw2 -almd bug in wien2k 21.1

[Harrison LaBollita]

Hi!

I’m using wien2k version 21.1. I’m using the utility program dmftproj provided by the authors of the TRIQS software package and I believe that a previous reported bug still remains in the lapw2 routine (previously mentioned here <https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19011.html> for version 19.1 of wien2k), specifically, when running lapw2 -almd. 

The solution suggested in the previous post to fix this bug also works for this version of wien2k:

1. add INTEGER::lmax_to_dmft = 3 at the beginning of qdmft.F
2. Comment line 267 of l2main.F
3. Recompile lapw2


Best, 
Harry



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