[CP2K:6000] Relativistic Effect Included in Basis Sets ?

[hut... at chem.uzh.ch]

It is in the pseudopotential. Check the literature.

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: Linus.Xing 邢登辉 
Sent by: cp... at googlegroups.com
Date: 01/13/2015 01:19PM
Subject: [CP2K:6000] Relativistic Effect Included in Basis Sets ?

As the subject says, is the Relativistic Effect Included in Basis Sets, like the Pt, Au, heavy atoms ?
Best wishes



-- 

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.