[CP2K:7829] van der Waals interactions

hut... at chem.uzh.ch hut... at chem.uzh.ch
Mon Jun 6 07:54:24 UTC 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
---------------------------------------------------------------

-----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.



-- 

You received this message because you are subscribed to the Google Groups "cp2k" group.

To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+uns... at googlegroups.com.

To post to this group, send email to cp... at googlegroups.com.

Visit this group at https://groups.google.com/group/cp2k.

For more options, visit https://groups.google.com/d/optout.




More information about the CP2K-user mailing list