[QE-users] extracting wavefunctions

[dv009200 at fh-muenster.de]

pp.x has the option to plot a range of wavefunctions you just have to
specify kband(1)=min and kband(2)=max.
Have a look at the pp.x input description:

"kband(i), i=1,2

Band(s) to be plotted. To plot a single band ibnd, specify kband=ibnd or
kband(1)=ibnd To plot a range of bands [imin, imax], specify kband(1)=imin
and kband(2)=imax"

Regards

Dominik

M.Sc. Dominik Voigt PhD Student
Münster University of Applied Sciences
Email: dv009200 at fh-muenster.de



> Hi,
>
> I'm wondering if there's a way to extract all the orbital wavefunctions at
> once? I've been using pp.x to extract them one by one, but it takes a very
> long time for large systems.
> Is there any other applications that can be used to extract orbitals?
> Thanks for your time!
>
> Best,
> Wenfei
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