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Re: The imaginary part of the absorption spectrum exceeds 100 within GW+BSE level.
Posted: Sun Jun 20, 2021 3:44 pm
by Luo Yan
Dear Dr. Daniele
Thanks a lot. Sorry for my carelessness. I will contine my studies with yambo code.
I wish you a happy life.
Re: The imaginary part of the absorption spectrum exceeds 100 within GW+BSE level.
Posted: Sun Jun 20, 2021 3:49 pm
by Daniele Varsano
Dear Luo,
that's normal, in particular when starting using the code. There are many variable to take into account, we are trying to simplify the input structure but this is not an easy task.
Enjoy with Yambo and do not hesitate to write into the forum if you need help on the code usage or something is not clear.
Best,
Daniele
Re: The imaginary part of the absorption spectrum exceeds 100 within GW+BSE level.
Posted: Sun Jun 20, 2021 4:08 pm
by Luo Yan
Dear Dr. Daniele
hahaha
, thanks for your encourages. Just a confuse about BSENGBlk, is it can be set to be the same value as NGsBlkXp ?? When generating input file with yambo code, their orginal values are same.
Re: The imaginary part of the absorption spectrum exceeds 100 within GW+BSE level.
Posted: Sun Jun 20, 2021 4:12 pm
by Daniele Varsano
Dear Luo,
NGsBlkXp is the dimension of the block of the screening you calculated e.g. plasmon pole approximation when doing a GW calculation.
Next, the static part of the screening can be read and used to build the BSE kernel (BSENGBlk).
So, BSENGBlk can be set equal or lower than NGsBlkXp (not higher as components larger than NGsBlkXp are missing).
When generating input file with yambo code, their orginal values are same.
Yes, yambo when generating input, reads existing database and set the variable according to the read values.
Best,
Daniele
Re: The imaginary part of the absorption spectrum exceeds 100 within GW+BSE level.
Posted: Sun Jun 20, 2021 4:18 pm
by Luo Yan
Dear Dr. Daniele
Thank you. Your replies are very detailed. Thanks again.