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Gap values not written

Posted: Wed Sep 07, 2016 1:20 am
by reinaldo-z

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 values (E^0_gap, E^GW_gap, DeltaE^GW_gap) in the *.out file.

Any idea?

Thanks in advance.

Re: Gap values not written

Posted: Tue Mar 24, 2020 12:37 am
by fmondaca
Hi, I have the same problem, but it is for the SnO2 system.

Did you solve it?

Re: Gap values not written

Posted: Mon May 03, 2021 8:18 am
by iaizo
Hi. i Had the same problem. If you are specifying the bandgap in bdgw, lets say bdgw 4 5, change it to something like

bdgw 3 6 or bdgw 2 7. got the gap values after doing this