Hello pwscf users, I am doing electronic calculation on ScSb. I am using *Sb.pw91-n-van.UPF*<http://www.pwscf.org/pseudo/1.3/UPF/Sb.pw91-n-van.UPF> pp for Sb, which contains 4d, 5s and 5p orbitals. But when i draw the PDOS with projwfc.x command, then it gives 1d, 2s and 3p orbitals file not 4d, 5s and 5p. I unable to understand why it is doing so? Is 1d~4d 2s~5s and 3p~5p according to the programme????
thanks -- Bipul Rakshit PhD Student, Barkatullah University, Bhopal 462026, MP, India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080821/b187641d/attachment.htm
