Dear Mr. Chaou Oum The values for starting_magnetization between -1 (completely down magnetized) and 1 (completely up magnetized).(Default value is equal to zero.)(Refer: $ESPRESSO_DIR/DOC/INPUT_PW.txt)
Just test for this range (by performing series of scf runs) and you can work with the value at which you can get minimum total energy. Warm Regards Amit N. Harode CRL INDIA On Tue, 25 May 2010 21:11:52 +0530 wrote >but a need same input as :starting_magnetization for graphene (starting_magnetization(1)=0.8 for Ni) 2010/5/25 Duy Le I don't know what the example n8 is about, but if you want to do the same thing, you just need to replace all the?parameters?of Ni system to those of graphene system.-------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida. "Men don't need hand to do things" On Tue, May 25, 2010 at 9:49 AM, chaou oum wrote: Dear all I would like to? ask you? about input of bands d'energie ' fermi suface'? plot spin-polarized of graphene a have find DOS for graphene i would like to do the same work like? exemple n8 'Ni' many thanks oum _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100526/d2b74b00/attachment.htm
