[CP2K:7829] van der Waals interactions

hut... at chem.uzh.ch hut... at chem.uzh.ch
Mon Jun 6 09:54:24 CEST 2016


Yes, see

CP2K_INPUT / FORCE_EVAL / DFT / XC / VDW_POTENTIAL

and 

cp2k/tests/QS/regtest-dft-vdw-corr-(1,2,3)

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: cp2k <cp... at googlegroups.com>
From: SaeeD PourasaD 
Sent by: cp... at googlegroups.com
Date: 06/06/2016 08:41AM
Subject: [CP2K:7829] van der Waals interactions

Dear CP2K users ,
Is It possible to use van der Waals interactions in CP2K ?For example : with using of this paper : http://journals.aps.org/prb/pdf/10.1103/PhysRevB.87.064110 , it is possible for VASP !

Thanks for your attention.Regards,Saeed.



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