Visualization of orbitals produced by SODFT calculation
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Researcher Joe
Oct 29, 2025, 8:09:37 PMOct 29
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Does anyone know if it is possible to visualize (for example, by producing .cube files) molecular orbitals produced by SODFT calculation? And if so, then how?
Thank you in advance.
Miro
Nov 20, 2025, 5:12:12 PMNov 20
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I am also interested in this feature - visualizing relativistic molecular orbitals from nwchem.
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