[Wien] HF input files
Julia Berashevich
berashej at tbh.net
Thu May 2 19:32:06 CEST 2013
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20130502/ac6a6004/attachment.html>
More information about the Wien
mailing list