My Community

Hi,

I'm new to the GW calculation with VASP. I'm wondering how is the self-consistency determined for the QPGW or GWR method? I notice we can set NELMGW for multiple iterations but Is there a tag similar to the EDIFF in the DFT calculation to set a criterion?

Best,
Michael

Hi Michael,

The short answer is no, there is no such criterium for self-consistent GW calculations.
You can only control the number of iterations to be performed using NELMGW.