[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
---------------------------------------------------------------

-----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 
   
  -- 
 You received this message because you are subscribed to the Google Groups "cp2k" group.
 To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+uns... at googlegroups.com.
 To post to this group, send email to cp... at googlegroups.com.
 Visit this group at http://groups.google.com/group/cp2k.
 For more options, visit https://groups.google.com/d/optout.




More information about the CP2K-user mailing list