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.
about [r,Vnl]
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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Daniele Varsano
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Re: about [r,Vnl]
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
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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/