[Pw_forum] Plotting KS wavefunctions in real space

[Prasenjit Ghosh]

Ciao Omololu,

You can use pp.x to plot |psi|^2 (plot_num=7) which are the modulus
square of the KS eigenfunctions......you can plot it for each band and
each k-point. For details have a look in the INPUT_PP.txt file in the
Doc directory of QE distribution.

Prasenjit

On 27 June 2011 18:17, Omololu Akin-Ojo <prayerz.omo at gmail.com> wrote:
> Ciao Tutti,
>
> Pls how does one plot the Kohn-Sham wavefunctions in real space? Is
> there a program/way to extract information from the PWSCF files and
> write the wavefunction in *.xsf format (for xcrysden) or cube format?
>
> Thank you for any help.
>
> Omololu Akin-Ojo
> Postdoctoral Fellow,
> International Centre for Theoretical Physics (ICTP)
> Trieste, Italy
>
> --
> ***************** Seek GOD! *************
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PRASENJIT GHOSH,
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