[CP2K:6157] Re: polarizability calculations

hut... at chem.uzh.ch hut... at chem.uzh.ch
Wed Feb 25 15:40:07 CET 2015


Hi

I cannot see to what message you refer to.

Polarizability calculations should work without problems for GGA
functionals (like PBE).

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: marta bon 
Sent by: cp... at googlegroups.com
Date: 02/25/2015 12:25PM
Subject: [CP2K:6157] Re: polarizability calculations

Dear CP2K users,
I came across this message and I have the following question: is it right that I cannot calculate the polarizability tensor with the PBE exchange correlation functional?

Thank you very much.


Marta




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