[CP2K:10289] Grimme Dispersion with SCC DFTB

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

Hi

does the test (in the regtest directory)

tests/DFTB/regtest-scc/h2o_disp3.inp

work?

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: Jan-Niclas Luy 
Sent by: cp... at googlegroups.com
Date: 05/08/2018 10:24AM
Subject: Re: [CP2K:10289] Grimme Dispersion with SCC DFTB

Thank you for the reply.

Unfortunately the problem persists.

I added the following line to above input, but the dispersion energy is still zero.

          D3_SCALING  1 1 1

Best regards
Jan-Niclas
  
  -- 
 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.