order DOSCAR in a SPIN-ORBIT calculation
Posted: Thu Feb 21, 2013 9:49 am
Dear admin, dear vasp users
I would like to study the density of states in a case where the spin-orbit coupling is included. It seems that there are 4 different columns for each orbital. What is the order of these columns?
how can I obtain the total DOS for the single atom?
how can I obtain something similar to the up spin? down spin?
Why some column give me a negative contribution to the DOS?
A book, paper or tutorial will be great
thanks
Carmine Autieri
<span class='smallblacktext'>[ Edited ]</span>
I would like to study the density of states in a case where the spin-orbit coupling is included. It seems that there are 4 different columns for each orbital. What is the order of these columns?
how can I obtain the total DOS for the single atom?
how can I obtain something similar to the up spin? down spin?
Why some column give me a negative contribution to the DOS?
A book, paper or tutorial will be great
thanks
Carmine Autieri
<span class='smallblacktext'>[ Edited ]</span>