[Wien] partial DOS

[Peter Blaha]

When using the QTL-program, you can define your own coordinate system.

Rotating x,y by 45 degrees does exactly what you want.

Am 10.09.2011 05:14, schrieb Yundi Quan:
> Hi, All,
> When calculating partial DOS, usually px,py,pz, are used. Is it possible to use a new basis set like px+py, px-py and pz.
>
>
>
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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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