Search found 3 matches
- Wed Sep 07, 2016 1:20 am
- Forum: Many-body perturbation theory
- Topic: Gap values not written
- Replies: 2
- Views: 9739
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...
- Wed Sep 07, 2016 1:13 am
- Forum: Many-body perturbation theory
- Topic: GW1 Tutorial error
- Replies: 2
- Views: 4773
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.
- Tue Mar 03, 2015 7:49 pm
- Forum: Many-body perturbation theory
- Topic: GW memory
- Replies: 1
- Views: 3148
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...