[CP2K:4636] Tran Blaha 09

[hut... at pci.uzh.ch]

Hi

the comment in CP2K and the deactivation of the functional was done
by Fabien Tran. Apparently, he is not convinced that the implementation
of his functional in libxc is correct. I don't know if he is in contact
with the libxc guys regarding this issue.

best regards

Juerg Hutter 

--------------------------------------------------------------
Juerg Hutter                         Phone : ++41 44 635 4491
Physical Chemistry Institute   FAX   : ++41 44 635 6838
University of Zurich               E-mail:  hut... at pci.uzh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
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-----cp... at googlegroups.com wrote: -----
To: cp... at googlegroups.com
From: Sascha Brück 
Sent by: cp... at googlegroups.com
Date: 09/26/2013 03:46PM
Subject: [CP2K:4636] Tran Blaha 09

Hi,

why is the Tran Blaha 09 potential from Libxc deactivated? In xc_libxc.F it says "desactivated since (probably) buggy in v2.0.1 of libxc"

Sascha
  
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