[QE-users] vDW error for scf calculation

Paolo Giannozzi p.giannozzi at gmail.com
Thu Aug 20 12:21:38 CEST 2020


On Thu, Aug 20, 2020 at 10:04 AM Neeraj Kulhari <
neerajkulhari041993 at gmail.com> wrote:

with vdw_corr=grimme-d2 or vdw_corr=grimme-d3  I am getting below error
>

the correct syntax is vdw_corr='grimme-d2' or vdw_corr='grimme-d3'

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200820/7f35925f/attachment.html>


More information about the users mailing list