[Pw_forum] smearing convergence
manojnarayan86 at gmail.com
Tue Dec 31 06:36:35 CET 2013
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
> Pw_forum mailing list
> Pw_forum at pwscf.org
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users