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about [r,Vnl]

Posted: Thu Jun 17, 2021 7:26 pm
by maymoun mohammad
Dear users
I get this "WARNING" when I run the yambo input.
WARNING] [r,Vnl^pseudo] not included in the position and speed dipoles.
doesn't this affect the result?
and how to include it?

Best regards,
maymoun mohammad, PhD StudentD. student, Polydisciplinary Faculty of Khouribga, Sultan Moulay Slimane University, Morocco.

Re: about [r,Vnl]

Posted: Sat Jun 19, 2021 11:11 am
by Daniele Varsano
Dear Maymoun,

yes, it can affect the oscillator strength values, but it is system dependent and in soma cases it can be neglected saving computational time.
It should be included by default, what kind of algorithms are you using to calculate dipoles (DipApproach)?

Best,
Daniele