Search found 3 matches

by reinaldo-z
Wed Sep 07, 2016 1:20 am
Forum: GW
Topic: Gap values not written
Replies: 2
Views: 1327

Gap values not written

Hi. I'm running a GW calculation for an hydrogenated graphene structure. I followed the GW tutorial (steps 2-8) to find all the convergence values. When I perform the Calculation of the GW corrections for the band gap in gamma (step 9) Abinit does not report any error but it doesn't write the gap va...
by reinaldo-z
Wed Sep 07, 2016 1:13 am
Forum: GW
Topic: GW1 Tutorial error
Replies: 2
Views: 2944

Re: GW1 Tutorial error

This could be happening because the base files produced in step 2 have lower parameters (ecut, bands, etc.) than you are choosing for the 3-8 steps.
by reinaldo-z
Tue Mar 03, 2015 7:49 pm
Forum: GW
Topic: GW memory
Replies: 1
Views: 1623

GW memory

Hello, I am having some difficulty running a GW calculation using the ABINIT code. We run out of memory very rapidly when converging. I would like to know if our computer system has the necessary requirements. Could you please tell me how the RAM scales during the calculation of the GW correction? I...