i did spin polarized calculations and i determined the l-m projected density of states
using the flag LORBIT=11 in my INCAR file. The run is fine.
In the DOSCAR file there is written the l-m projected density of states resolved for all the ions.
If i take the dates for a single ion i have the values of l-m projected density of states
resolved for energy and angular momenta.
The energy comes in the first column and then in the following columns there are the values of l-m projected density of states.
How are the colums distributed for angular momenta?
They are like:
s_up,s_down,px_up,px_down,py_up,py_down,pz_up,pz_down,d_xy_up,dxy_down,
dyz_up,dyz_down,d_{z^2-r^2}_up,d_{z^2-r^2}_down,dxz_up,dxz_down,
d_{x^2-y^2}_up,d_{x^2-y^2}_down
or:
s_up,s_down,px_up,py_up,pz_up,px_down,py_down,pz_down,
dxy_up,d_yz_up,d_{z^2-r^2}_up,d_xz_up,d_{x^2-y^2}_up,
d_xy_{down},d_yz_{down},d_{z^2-r^2}_down,dxz_{down},d_{x^2-y^2}_down
????????I`m interested to the order of d states in the columns because i want to have a look to the density of states for t2g/eg states up and down.
Thank you.
G.
