[CP2K:5953] XC_POTENTIAL SAOP

hut... at chem.uzh.ch hut... at chem.uzh.ch
Tue Dec 16 15:08:23 CET 2014


Hi

the  XC_POTENTIAL SAOP is only available for 
TDDFT (with linear response theory) available.

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: Luca 
Sent by: cp... at googlegroups.com
Date: 12/13/2014 08:48AM
Subject: [CP2K:5953] XC_POTENTIAL SAOP

Dear all
I would like to perform a real time propagation 
by using the XC_POTENTIAL SAOP.
I put that keyword as subsection of XC  (in DFT).
CP2K does not complain but the calculation does not seem being affected 
by the SAOP potential.
Where am I doing wrong?

Thank you in advance
Luca 
   
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