[Pw_forum] Fwd: generating PDOS is missing for some atoms

Sonu Kumar 1009ukumar at gmail.com
Tue Jul 29 12:02:55 CEST 2014


Tonatiuh,

>If the pseudo does not contain the wavefunctions, then it will not do the
PDOS.

​Yes, you are right !!!  PDOS calculation needs projection of KS-eigen
states on a set of
ortho-normal basis (atomic states are taken as an approx. orthonormal
basis)​
​.

Good Luck !!​
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