[Pw_forum] kohn -sham orbitals ortogonality and ortonormality
nazari at iasbs.ac.ir
nazari at iasbs.ac.ir
Wed Aug 29 08:25:09 CEST 2012
>> Would you please let me know how the
S|psi> is obtained with pp.x
>
> you need to modify
the code
Which part
of the code. Would you please let me know the name of files
that should be changed
>> I need
orthonormal kohn-sham orbitals.
>
> in order to do
what?
I wish to find the
localized orbitals.
Regards
Fariba Nazari
IASBS
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