[Wien] Total DOS for spin-polarized calculation

2009-09-07 Thread Stefaan Cottenier
I wanted to compute the TOTAL DOS for a non-spin-orbit spin-polarized calculation (FM and AFM) (...) I expected case.dos1evup and case.dos1evdn plots to look exactly the same but they do not. ??? For a ferromagnetic calculation, the up and dn DOS must be different. Otherwise, how could you

[Wien] Total DOS for spin-polarized calculation

2009-09-06 Thread Francisco Garcia
Dear users, I wanted to compute the TOTAL DOS for a non-spin-orbit spin-polarized calculation (FM and AFM) so I did the following after scf convergence: x lapw2 -up -qtl x lapw2 -dn -qtl Then I used the following case.int file ++ + Title