[Wien] Charge density plot

Peter Blaha pblaha at theochem.tuwien.ac.at
Wed Jul 17 04:44:35 CEST 2013


Yes. Look at the examples and eg. w2web charge density plotting. You can 
specify a tiny E-window when calculating    x lapw2 -all e1 e2,
so that only your desired eigenvalue is in that range.

(Of course, you can also create a k-mesh with only "your" k-point, run 
  x lapw1 and   x lapw2 with the proper E-window.

Am 17.07.2013 03:36, schrieb Chang-Jong Kang:
> Dear Prof. Blaha and Wien2k users,
>
> I would like to plot charge density which contains only particular
> k-point and energy range.
>
> Is it possible?
>
>
> Best regards,
> Chang-Jong Kang
>
>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
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A-1060 Vienna
Austria
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