[CP2K:5953] XC_POTENTIAL SAOP
hut... at chem.uzh.ch
hut... at chem.uzh.ch
Tue Dec 16 14:08:23 UTC 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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