[Pw_forum] kohen -sham orbitals ortogonality and ortonormality

nazari at iasbs.ac.ir nazari at iasbs.ac.ir
Tue Aug 28 15:23:31 CEST 2012




Dear All,

Would you please let me know if the kohen
-sham orbitals ,which are obtained by pp.x,  are normalized,
orthogonalized or orthonormalized?

Regards
Fariba
Nazari
IASBS

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