Hi,
I'm looking for a way to get (and visualize) the orbitals of a molecule out of a vasp calculation. I need all the symmetry information so the charge density is insufficient...
Any suggestions?
B) ?!
Molecular orbitals?
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palulit
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Molecular orbitals?
Last edited by palulit on Sun Apr 15, 2007 1:51 pm, edited 1 time in total.
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lcyin
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Molecular orbitals?
Why not using Gaussian?
Last edited by lcyin on Wed Apr 25, 2007 11:32 am, edited 1 time in total.