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>
order DOSCAR in a SPIN-ORBIT calculation
Moderators: Global Moderator, Moderator
-
autieri
- Newbie
- Posts: 10
- Joined: Mon Feb 14, 2011 9:48 am
- Location: Uppsala (Sweeden)
order DOSCAR in a SPIN-ORBIT calculation
Last edited by autieri on Thu Feb 21, 2013 9:49 am, edited 1 time in total.
Carmine Autieri
-
admin
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
order DOSCAR in a SPIN-ORBIT calculation
the order of the colums is:
total DOS, and the DOS according to the magnetizations along x,y,z of each orbital (s,p,d,..) and atom
total DOS, and the DOS according to the magnetizations along x,y,z of each orbital (s,p,d,..) and atom
Last edited by admin on Thu Mar 14, 2013 12:35 pm, edited 1 time in total.