[CP2K:5295] Re: Implementing new functionals

hut... at chem.uzh.ch hut... at chem.uzh.ch
Wed May 21 07:41:04 UTC 2014


No, they are not in the distribution.
I have a few generated for our own use (O,H).

regards

Juerg

 
--------------------------------------------------------------
Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie C              FAX   : ++41 44 635 6838
Universität Zürich                  E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
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-----cp... at googlegroups.com wrote: -----
To: cp... at googlegroups.com
From: August Melcher 
Sent by: cp... at googlegroups.com
Date: 05/19/2014 09:35PM
Subject: [CP2K:5295] Re: Implementing new functionals

Alright, thanks. Are the PBE0 GTH pseudopotentials contained somewhere in CP2K or should I be looking elsewhere for them?  
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