5.19. orbitalsΒΆ
Workflow functions that combine functions to generate orbitals.
Functions
Generate Fermi-Loewdin orbitals and optionally save them as CUBE files. |
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Generate Fermi orbitals and optionally save them as CUBE files. |
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Generate Kohn-Sham orbitals and optionally save them as CUBE files. |
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Generate SCDM orbitals and optionally save them as CUBE files. |
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Generate Wannier orbitals and optionally save them as CUBE files. |
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Simple CUBE file writer function. |