Molecular orbitals?
Posted: Sun Apr 15, 2007 1:51 pm
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) ?!
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) ?!