[CP2K:3283] TZV2P basis set for Bromine
hut... at pci.uzh.ch
hut... at pci.uzh.ch
Fri Jun 3 08:35:28 UTC 2011
Hi
for the heavier elements only DZVP short-range MOLOPT basis
sets are available.
regards
Juerg
--------------------------------------------------------------
Juerg Hutter Phone : ++41 44 635 4491
Physical Chemistry Institute FAX : ++41 44 635 6838
University of Zurich E-mail: hut... at pci.uzh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
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-----cp... at googlegroups.com wrote: -----
To: cp2k <cp... at googlegroups.com>
From: rupa
Sent by: cp... at googlegroups.com
Date: 06/03/2011 07:15AM
Subject: [CP2K:3283] TZV2P basis set for Bromine
Hello,
I am looking for molecularly optimized TZV2P basis set for Bromine.
I didn't find in CP2K web page. Is it developed in the mean time?
Thanks
Rupashree
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