Thank you madam i will look into the references you provided still if i have doubts i will meet one of your students.
On Mon, Sep 7, 2009 at 2:47 PM, <shobhana at jncasr.ac.in> wrote: > Dear U. Saibabu, > > To get answers to your questions about smearing, I can suggest a few > things: > > 1) Read Chapter 4 of Nicola Marzari's PhD thesis, available at > http://quasiamore.mit.edu/phd > > 2) Read previous forum postings, e.g., by Nicola Marzari on Jan 17 2008. > > 3) Look at my lecture slides, posted on > http://www.quantum-espresso.org/wiki/index.php/QESB09 > click on the slides for lecture 2 on the first day. > > 4) Travel the 10 km from IISc to JNC (you can take the JNC bus, timetable > available on web) and come and ask one of my students to explain it to > you! > (Notice that I am wickedly volunteering their time, not mine....) > > Shobhana > > > Message: 1 > > Date: Mon, 7 Sep 2009 12:05:44 +0530 > > From: udayagiri sai babu <udayagiri3 at gmail.com> > > Subject: [Pw_forum] choosing degauss value > > To: PWSCF Forum <pw_forum at pwscf.org> > > Message-ID: > > <d3964cb10909062335i7aeb0909vf8585cbdfbe98fac at mail.gmail.com> > > Content-Type: text/plain; charset="iso-8859-1" > > > > Dear all > > can somebody tell me how to choose a correct degauss value for an SCF > > calculation and also the physics behind it. > > > > -- > > U.Saibabu > > PhD student, > > Deformation mechanisms modeling group, > > Materials engineering department, > > IISc Bangalore, > > India. > > -------------- next part -------------- > > An HTML attachment was scrubbed... > > URL: > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- U.Saibabu PhD student, Deformation mechanisms modeling group, Materials engineering department, IISc Bangalore, India. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090907/1452f028/attachment.htm
