LOCALIZATION

[jvi...@gmail.com]

Dear Dirac Experts,

where are localized orbitals stored after

*LOCALIZATION

run ? In DFCOEF? DFPCMO? Some other file on the scratch?

Localization of virtual orbitals is not recommended, but would yield somewhat localized orbitals anyway, please?

If I would include in .SELECT both occupied and virtual orbitals in a single orbital string, the algorithm will mix them, right?

So if I wish to localize occupied and virtual MOs independently, I need to run the algorithm twice, once on occupied and once on virual?

Best regards,

Jakub