Dear Pankaj. All depends on scf calculation which you perform first before pwcond. If it was non spin-polarized - you should specify iofspin = 1 or nothing (iofspin = 2 will probably crash ...), if it was spin-polarized you specify 1 (2) for up (down) spin as you have said. regards, Alexander
Le 5 mars 2012 06:46, pankaj sahota <pankajsahota at gmail.com> a ?crit : > Hi, > > I am new to transport calculation. I am calculating the the quantum > conductance of wires. There is one tag "iofspin" whose default value is > one. I would like to know that if I do not give the iofspin tag then will > it be a non spin polarized calculation of it will calculate the > transmission for up spin and setting iofspin=2 will calculate the down spin. > > Waiting for your reply. > Thanks and regards. > Pankaj. > > -- > Pankaj Kumar > DST Project Fellow(Ph.D.) > Department of Physics > The LNM IIT Jaipur > Mob. No. +91 9736694726 > > > > _______________________________________________ > 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/20120305/4b431326/attachment.htm
