Sir, Thanks for the quick response. I will make the correction. Is there anything other correction I have to make?
Thanking you, Sayan Chaudhuri On Thu, May 4, 2017 at 9:48 AM, Ari P Seitsonen <[email protected]> wrote: > > Dear Sayan Chaudhuri, > > If you multiply the number of cells by four, shouldn't you also multiply > 'tot_magnetization' by four too? > > Greetings from Rabat/Morocco, > > apsi > > -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*= > -=*=-=*=-=*=-=*=- > Ari Paavo Seitsonen / [email protected] / http://www.iki.fi/~apsi/ > Ecole Normale Supérieure (ENS), Département de Chimie, Paris > Mobile (F) : +33 789 37 24 25 (CH) : +41 79 71 90 935 > > > > On Thu, 4 May 2017, sayan chaudhuri wrote: > > Hi all, >> >> I am calculating DOS structure for a heusler alloy Fe2TiSb. When I am >> not using a supercell I am >> getting the same result reported previously, but after using a supercell >> I am getting very different >> result. >> I am attaching the scf files and DOS output for both the cases. Please >> tell me what mistakes I am doing >> while considering the supercell. The one with _sup in the name, contains >> supercell. >> >> Thanking you in advance, >> Sayan Chaudhuri >> >> > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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