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Author Topic: Obtaining the radial parts of DFT-orbitals  (Read 3708 times)

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Offline ziand

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Obtaining the radial parts of DFT-orbitals
« on: August 18, 2011, 17:11 »
VNL-Viewer allows to inspect the radial parts of the DFT-orbitals.
Is there a hack to obtain those from within atkpython to plot them in some different way?
Thanks.
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Offline Anders Blom

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Re: Obtaining the radial parts of DFT-orbitals
« Reply #1 on: August 18, 2011, 19:49 »
Do you mean the basis set viewer in the Analyzer?
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Offline ziand

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Re: Obtaining the radial parts of DFT-orbitals
« Reply #2 on: August 18, 2011, 20:00 »
Yes this is exactly what I mean. Sorry for the sloppy writing.
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