[Wien] How to plot f-orbital DOS?
Rocquefelte
Xavier.Rocquefelte at cnrs-imn.fr
Mon Jan 26 15:49:21 CET 2009
Dear Ying Chen,
If you consider such an example (from the qtl file) :
JATOM 1 MULT= 2 ISPLIT= 8 tot,0,1,PX,PY,PZ,2,DZ2,DX2Y2,DXY,DXZ,DYZ,3
You see that you have the total DOS and then the partial DOS.
Particularly, s DOS is given by l = 0, p DOS by l = 1, d DOS by l = 2
and f DOS by l=3.
Regards
Xavier
ying chen a écrit :
> Dear Wien developers,
>
> Jysy a simple question.
>
> I am wandering how to plot the f-component i DOS?
> In the list of isplit there is no item for "f".
>
> Many thanks!
>
> Ying Chen
>
>
>
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