[Pw_forum] Fwd: epsilon.x calculation

ZARA NBSH z.nrbsh at gmail.com
Sun Aug 16 17:10:52 CEST 2015


Dear all,
Using epsilon.x command, I would like to calculate optical properties of my
system.
As you know US pseudo-potentials are not implemented for this calculation.
I used PAW PP but in the first of the PP file both of "is_ultrasoft" and
"is_paw" are True.
So epsilon.x does not work.

After scf calculations, and finding eigenstates and eigenvalues, can I
change the *is_ultrasoft="T"  *to *is_ultrasoft="F"?*

I really appreciate your help.

​Best regards,
Zara​

​
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