Running self consistency on the eigen values with wavevector dependent scissor to obtain accurate effective masses

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pravin_karna
Posts: 2
Joined: Mon Dec 12, 2022 3:55 pm

Running self consistency on the eigen values with wavevector dependent scissor to obtain accurate effective masses

Post by pravin_karna » Mon Dec 12, 2022 4:25 pm

Hello all!
I am quite new to YAMBO code.
I was trying to mimic a GW correction in a research article where they have corrected the band gap using GW correction. However, they have gone beyond G0W0 correction by applying self consistency on the eigen values with wave vector dependent scissor to obtain the effective masses. Can you guys please tell me how can we achieve this.
Also, how can we apply polarizability cutoff.
Lastly is there a way to find what is the optimum number of bands and k pointson which we can apply the GW correction. Right now in my input file, the
QPkrange
1|286|1|750|

which I believe is too high for calculation.

Thank you in advance for your time.

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Daniele Varsano
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Joined: Tue Mar 17, 2009 2:23 pm
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Re: Running self consistency on the eigen values with wavevector dependent scissor to obtain accurate effective masses

Post by Daniele Varsano » Mon Dec 12, 2022 5:03 pm

Dear Parvin,
Welcome to the yambo forum.
Please take few minutes to read the rules of the forum.

1) we would like to avoid anonymous users, so please sign your posts with your name and affiliation. You can do once for all by filling the signature in your profile.

2) submit posts in the most appropriate subforum, in this way other users can find answers to their doubts. Your posts is certainly non inherent with compilation prblems. So, please repost it in an appropriate sub forum e.g. Running yambo/self energy...or other you think it is appropriate.

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/

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