[CP2K:5426] Re: Pseudopotential for M06-L

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

Hi

The only way is to comment out the line in the source code.
 
qs_vxc_atom.F

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: August Melcher 
Sent by: cp... at googlegroups.com
Date: 06/19/2014 09:24PM
Subject: [CP2K:5426] Re: Pseudopotential for M06-L

Thanks! Is there any way to suppress the printing of the PROBLEM error message? The output files are extremely hard to look at when they're full of error messages. I tried PRINT_LEVEL SILENT but it didn't work.

The reason I'm doing GAPW calculations is for pseudopotential testing, comparing water dimer potential energy curves between all electron vs pseudopotential calculations. Is this still a valid method of testing given the shortcomings of meta-GGAs in GAPW? I was thinking I could instead compare with some other published M06-L data or is there a better way to test pseudopotentials?  
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