Visualization of Wavefunction

MULTIBINIT, aTDEP, ANADDB, optics, cut3d, mrg* postprocessors

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ljludwig
Posts: 77
Joined: Fri Jun 08, 2012 5:19 am

Visualization of Wavefunction

Post by ljludwig » Wed Nov 27, 2013 5:03 am

Hi All:

Is there an elegant way to visualize the wave function in real space? The cut3d program restricts the results only at 1 k-points at a time, which is quite slow...

Many thanks!
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mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

Re: Visualization of Wavefunction

Post by mverstra » Tue May 27, 2014 12:28 am

what do you want exactly? You need to spell it out in terms of wf with some sum over bands or k...

Wannier functions are nice - try the wannier90 tutorial and plugin.

Matthieu
Matthieu Verstraete
University of Liege, Belgium
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