[Pw_forum] plotting of the wfn with phases

Davide Tiana d.tiana at bath.ac.uk
Fri Jun 28 12:28:21 CEST 2013


Dear all,
I would like to compare the crystalline orbitals of periodic calc made  
with pw.x with molecular made with gamess on a single molecule.
using pw.x is it possible have the full information of the wfn (so  
including the phases) at the gamma point?

Cheers,
Davide





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