[Wien] implementation_hybrid_funcitonals

[f.tran at pci.uzh.ch]

I think that it's because the release that you are using does not contain the script init_hf_lapw.
In order to run hybrid calculations you have to follow the steps in the user's guide which is in
your WIENROOT directory (and not the one on the web).

F. Tran

-----wien-bounces at zeus.theochem.tuwien.ac.at wrote: -----
To: wien at zeus.theochem.tuwien.ac.at
From: Battal Gazi Yalçın 
Sent by: wien-bounces at zeus.theochem.tuwien.ac.at
Date: 05/28/2013 04:11PM
Subject: [Wien] implementation_hybrid_funcitonals

Dear wien2k users,

I m using WIEN2k_12.1 (Release 22/7/2012). 

I want to calculate electronic structure of AlAs with hybrid functional. But, I tried to run  'init_hf_lapw' bash responded that command not found.  then, I cant run the 'runsp_lapw -hf' because the necessary files are absent. 

How can I add the command  'init_hf_lapw'  in the WIENROOT directory.

I have re-installed the Wien2k. But, the problem is not solved.
 
Is there any way?

Thanks a lot

Res. Ass. Battal Gazi Yalcin
 Sakarya University
Art and Science Faculty
Department of Physics
Sakarya TURKEY
 
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