[CP2K:5511] NLCC PP + GTH PP?

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

Hi

yes should work. Not much experience is available, please report
any problems.

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: mpol 
Sent by: cp... at googlegroups.com
Date: 07/14/2014 02:52PM
Subject: [CP2K:5511] NLCC PP + GTH PP?

Dear CP2k users and developers,

Can we combine NLCC pseudopotentials for main group elements with the uncorrected GTH-type pseudopotentials for transition metals that include semi-core electrons? Of course, the pseudopotentials designed for PBE functional are used in both cases.

Best regards,
MP  
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