[Pw_forum] (no subject)

paresh rout paresh.rout88 at gmail.com
Sat Nov 10 12:57:38 CET 2012


Dear all
   I am doing structural optimization of some compound.But here how to
choose smearing and the degauss value for this case is lconfusing me .So
can anybody please  suggest me from where i can get about these ?

Thank you
paresh
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20121110/7bee28e8/attachment.html>


More information about the users mailing list