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