[gpaw-users] Eigen wave-function

[Ask Hjorth Larsen]

Dear Duy Le

> Dear all,
> I wonder if it is possible to get KS wave functions with gpaw? I want
> KS wave function to perform post processing.

You can find an example in the wave function plotting tutorial:

https://wiki.fysik.dtu.dk/gpaw/tutorials/plotting/plot_wave_functions.html

This will get the pseudo wave functions, not the all-electron ones.  The 
all-electron ones are normally too nasty.

Regards
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