Dear Developers,
I do g0w0 calculation and bse with only Dynamical Inverse Dielectric Matrix (emld)
(e.g. removing the emls flag in the inputfile of bse)
on top of that!
What is the difference between emls and emld calculations?
Is that necessary to do both emls and emld calculations?
Dynamical Inverse Dielectric Matrix
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samaneh
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Dynamical Inverse Dielectric Matrix
S. Ataei, PhD student at University of Tehran, Iran.
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Daniele Varsano
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Re: Dynamical Inverse Dielectric Matrix
Dear S.Atei,
there is not difference. BSE kernel is build by using static screening (em1s), but if you have already calculated a dynamical one (e.g. plamon pole) or full dynamical, containing the zero frequency (as in pp) yambo simply read the static component from the exiting database. Of course if you need to calculate by scratch the calculation of the static one is less time consuming.
Best,
Daniele
there is not difference. BSE kernel is build by using static screening (em1s), but if you have already calculated a dynamical one (e.g. plamon pole) or full dynamical, containing the zero frequency (as in pp) yambo simply read the static component from the exiting database. Of course if you need to calculate by scratch the calculation of the static one is less time consuming.
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/