[Wien] How to Plot 1D Charge Density Using WIEN2k Data?
Peter Blaha
peter.blaha at tuwien.ac.at
Tue Apr 15 17:10:57 CEST 2025
Please read the UG about lapw5
It is fairly straight forward to calculated 1D densities.
Am 14.04.2025 um 15:47 schrieb Hadjer MEZIANI via Wien:
> Dear WIEN2k experts and users,
>
> I am interested in plotting the charge density in 1D using data
> calculated with WIEN2k.
>
> Could someone kindly guide me on:
>
> (i) how to extract the charge density information,
>
> (ii) and from which file to retrieve the data needed for plotting the
> charge density as a function of distance (in 1D) with all steps ?
>
> I would be very grateful for your help.
>
> Thank you in advance.
>
> Best regards,
>
> M. Hadjer
>
>
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Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: peter.blaha at tuwien.ac.at
WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at
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