If it is metal start with ordinary Gaussian smearing!
On Tue, Dec 31, 2013 at 12:36 AM, Manoj Narayanan <manojnarayan86 at gmail.com>wrote: > Dear Manu > > Thanks for the quick reply. I want to do some calculation in Al bulk (FCC) > for that I want to get the appropriate value of smearing (since Al is a > metal) through convergence test. I want to know the procedure for that . > > > On Tue, Dec 31, 2013 at 10:44 AM, Manu Hegde <mhegde at uwaterloo.ca> wrote: > >> What do you mean by that?. Post you input data as well. >> >> >> On Tue, Dec 31, 2013 at 12:00 AM, Manoj Narayanan < >> manojnarayan86 at gmail.com> wrote: >> >>> Dear all >>> >>> I am new to Quantum Espresso. Can somebody tell how to do the >>> convergence test for smearing ? >>> >>> With regards >>> Manoj N H >>> Allahabad Uty. >>> >>> _______________________________________________ >>> Pw_forum mailing list >>> Pw_forum at pwscf.org >>> http://pwscf.org/mailman/listinfo/pw_forum >>> >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131231/d6ddc71d/attachment.html
