[Pw_forum] Regarding Van der waals corrections for Xe
Kondaiah Samudrala
konda.physics at gmail.com
Sat Dec 14 18:37:09 CET 2013
Dear all,
I have two doubts regarding Van der waals correction methods:
There is no C6 value for Xe. Whether I can use for "london=.true." option
for Xe base compounds???
Whether london=.true. for all functionals ( i mean, LDA, PW91, PBEsol) or
explicitly for PBE only????
Thanks in advance
with regards
S. Appalakondaiah
Research scholar
University of Hyderabad
Hyderabad
India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20131214/899e2fb8/attachment.html>
More information about the users
mailing list