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Hi,
I want to display the wave function (squared) of an atomic orbital with a unit cell I have already constructed in VESTA. For example a 2p orbital (which I can write analytically and thus write into a 3d grid using a program like Igor Pro, very easily), on each atom in a square unit cell. I understand that I need to import the volumetric data of this orbital into VESTA, but I cannot work out how to make a volumetric data file accepted by VESTA.
Can anyone help?
Thanks.
Damaris Tartarotti Maimone
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Jul 24, 2016, 2:27:06 PM7/24/16
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Hi!!
I would like to show a 3d z^2 atomic orbital instead of an atom, and I am having the same problem as you. Have you figured out how to do that?