shifting of Fermi level to 0 by ypp

[Akash]

Dear Developers,

I have calculated the GW band structure of Bilayer Graphene. I want to know does ypp shifts the Fermi level to 0 automatically, while post processing the bands?
The fermi energy in the output file is reported to be 1.643251 eV.

[Daniele Varsano]

Dear Akash,

by convention, in semiconductors, the zero is set at the top of the valence band. In metals instead it is recalculated, you should find all the information in the report file, e.g. the set up r_setup report.

Best,
Daniele

[Akash]

Dear Danele,

Thank you for solving my query.

[Akash]

Dear Danele,

Can you please give some suggestion to one more problem of mine. It is that even after increasing the memory of my system, the code is still stopping without any error. What possibly could be the reason ?

I have attached the yambo input file and output file.
Regards
Akash

[Daniele Varsano]

Dear Akash,
please note your are trying to calculate 3080 quasiparticle corrections: this is a large number and barely needed. Such a large number needs a lot of memory!
Are you sure you are interested
in such deep valence and high energy conduction states. Usually one it is interested to states near the gap.
Try to select few states around the gap as:

Code: Select all

%QPkrange                      # # [GW] QP generalized Kpoint/Band indices
1|20|95|98|
%

and see if this solves your problem.
Best,
Daniele

[Akash]

Dear Danele,

Thank you for replying.