[Pw_forum] (no subject)

[Joydev De]

Dear All,

During pdos calculation, the kohn-sham orbital is projected on-to the
atomic orbital and the square of the overlap co-efficient give us the
lowdin charge. Can I get these co-efficients with proper phase factor from
pdos calculation? Or is there any way to calculate these co-efficients with
proper factors?

Thanks

Regards,
Joydev De
PhD student, NISER
India.
ᐧ
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