[Wien] HF input files

[f.tran at pci.uzh.ch]

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-bounces at zeus.theochem.tuwien.ac.at wrote: -----
To: <wien at zeus.theochem.tuwien.ac.at>
From: "Julia Berashevich" 
Sent by: wien-bounces at 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

 
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