Hello, I think that it's because your version of WIEN2k is not the most recent one such that the setting up of a hybrid calculation is different. Maybe you should look at the manual that is included in your directory and no the most recent one on the web (if this is what you did).
F. Tran -----wien-boun...@zeus.theochem.tuwien.ac.at wrote: ----- To: <wien@zeus.theochem.tuwien.ac.at> From: "Julia Berashevich" Sent by: wien-boun...@zeus.theochem.tuwien.ac.at Date: 05/02/2013 07:33PM Subject: [Wien] HF input files Hello I am trying to set up the hybrid functional calculations. According to manual, the input files can be found at $WIENROOT/SRC templates/case.in0_grr_hf. In my case, I found only the case.inhf file but not the case.in0_grr_hf file. I also tried to run "init_hf_lapw", bash responded that command not found. I would appreciate if you can provide me with the template of case.in0_grr_hf file. Sincerely, Dr. Julia Berashevich Associate Scientist Thunder Bay Regional Research Institute _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
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