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quasi particle energy inconsistency with spin orbit coupling

Posted: Sun Jul 17, 2016 1:03 am
by vafa.ziaei
Dear Davide,

I have a serious problem.
I ran a cohsex calclation with spin orbit coupling on MoS2 using both yambo_3.4.1 and yambo_3.4.2.
However, i obtain inconsistent QP energies. The discrepancies come from different Sc(E0) values.

Now which Yambo version produces the correct results with respect to inclusion of spin orbit coupling ?

I add here that i am aware of this post : viewtopic.php?f=28&t=918
and at that time i accordingly updated yambo_3.4.1.

Attached you can find all necessary files for unconverged parameters.
Best wishes
Vafa

Re: quasi particle energy inconsistency with spin orbit coup

Posted: Thu Jul 21, 2016 8:26 am
by Davide Sangalli
Dear Vafa,
I tryed to run your test with the most recent yambo version and my results are consistent with version 3.4.2
Thus I would say that the results you have in the newer yambo version are the correct ones.

I'll try to further investigate which is the problem with 3.4.1

Kind regards,
D.

Re: quasi particle energy inconsistency with spin orbit coup

Posted: Thu Jul 21, 2016 10:17 am
by luca.montana
Dear Davide,

Which revision of yambo 3.4.2 are using ?
It seems i need to update to 3.4.2, too

Best
LUCA