B3LYP

[jacopos]

Dear all
i would like to run calculations using B3LYP, are there example input
files for this functional?

Thanks

Jacopo

[hut...@pci.uzh.ch]

Have a look in
tests/QS/regtest-hybrid

regards

Juerg

--------------------------------------------------------------
Juerg Hutter Phone : ++41 44 635 4491
Physical Chemistry Institute FAX : ++41 44 635 6838
University of Zurich E-mail: hut...@pci.uzh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
---------------------------------------------------------------

-----cp...@googlegroups.com wrote: -----
To: cp2k <cp...@googlegroups.com>
From: jacopos
Sent by: cp...@googlegroups.com
Date: 05/24/2011 12:26PM
Subject: [CP2K:3271] B3LYP

Thanks

Jacopo

--
You received this message because you are subscribed to the Google Groups "cp2k" group.
To post to this group, send email to cp...@googlegroups.com.
To unsubscribe from this group, send email to cp2k+uns...@googlegroups.com.
For more options, visit this group at http://groups.google.com/group/cp2k?hl=en.

[William Tao]

Very helpful.

Thank you!

在 2011年5月24日星期二 UTC-5上午5:26:15，jacopos写道：