[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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