Applying self-consistancy on the eigen values with wave vector dependent scissor to obtain effective mass
Posted: Mon Dec 12, 2022 6:19 pm
Hello all!
I am Pravin Karna.
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. Is it changing the value in NGsBlkXp?
Lastly is there a way to find what is the optimum number of bands and k points on 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
I am Pravin Karna.
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. Is it changing the value in NGsBlkXp?
Lastly is there a way to find what is the optimum number of bands and k points on 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