Yambo Community Forum

Dear Developers and Users,

I have got the file ndb.E_RIM (BZ_RIM_Nk=2000), but GW calculation (-g n -p p) is still very slow, did I miss some steps?

Sorry to disturb you.

Best

Yang

What is the meaning of "using the E-RIM to average the denominators"?

Dear Yang,
I'm not sure I understood what you are doing.

Can you describe more in details what are you using yambo for and which is the problem you are facing ?

Best,
D.

Dear Davide,

Thank you so much for your kind help.

There is a word on http://www.yambo-code.org/input_file/ypp/ypp_rim.php
"Moreover other properties that depend from the integral of epsilon, as G0W0 corrections, will converge even faster."
Does this mean that E-RIM method can be used to calculate GW corrections? What is the meaning of "using the E-RIM to average the denominators"?

Best,
Yang

Dear Yang,

the E-RIM method is used to speed up the convergence of the response function and thus the screening epsilon against the number of k-points.
Since the screening is used to compute the W in the GW self-energy the same apply also to GW calculations

For more informations see:
http://www.yambo-code.org/theory/docs/doc_Xd.php

and the references at the end of the page.

Best,
D.

Dear Davide,

Does this mean that if I get the file ndb.E_RIM, the GW calculations will be faster?


Best,
Yang

No, they will be slower given the same SAVE

Dear Davide,

Thanks for your detailed reply.

Best,
Yang

Dear Davide,

You mentioned in your article PRB 93, 195205 (2016)
"Equation (1) is solved on a 16X16X16 k grid in the Brillouin zone, with the KS wave functions and energies computed from a non-self-consistent DFT calculation starting from a 4X4X4 k grid."

Does this mean you set BZ_RIM_Nk=16X16X16?

Best,
Yang

Dear Yang,
yes, this is what we do.

Best,
D.