Dear all, I face with a problem in the pdos calculations. In the absence of spin-orbit coupling the for pdos has a form like this "X.pdos_atm#1(Y)_wfc#2(p)" in the data file one can find the Pz, Py and Px contribution. But by inclusion of SOC the I have "*X.pdos_atm#1(Y)_wfc#2(p_j0.5)*" and " *X.pdos_atm#1(Y)_wfc#3(p_j1.5)*". The first one has 2 column (2*0.5+1) and the second one has 4 column (2*1.5+1). How can I recognize the contribution from different component of P (Px, Py and Pz)?
Best, -- Mohsen Modarresi, PhD student of Solid State Physics, Ferdowsi University of Mashhad, Iran. Phone +98-9133452131 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140915/192310b1/attachment.html
