[Pw_forum] PDOS in the presence of spin-orbit coupling

Mohsen Modaresi modaresi.mohsen at gmail.com
Mon Sep 15 19:59:47 CEST 2014

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
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)?


Mohsen Modarresi,
PhD student of Solid State Physics, Ferdowsi University of Mashhad, Iran.
Phone +98-9133452131
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