GW using DG

sitangshu · Post by **sitangshu** » Mon Jul 13, 2020 7:51 pm

Dear yambores!

I have a netcdf ndb.Doublegrid file. I know how to do a BSE out of this, but how to do a G0W0 using this?

Regards
Sitangshu

Post by **Davide Sangalli** » Tue Jul 14, 2020 9:59 am

You can use the double grid in the screening for "W" in a GW calculation.
Its use in the "G" part is not coded.

For the "W" part, it should be automatically used once the database of the double grid is provided.

Best,
D.

sitangshu · Post by **sitangshu** » Tue Jul 14, 2020 11:11 am

Thanks Davide for your response. I already did the W- plasmon pole using the dg file and it runs fine. But the final excited HF and GW state energies and lifetimes goes to NAN...

I was thinking the one should run the expensive W part once in the whole calculations of BSE and GW... Currently, the W (in GW) part is on course grid, but the BSE is in fine grid....

Regards,
Sitangshu

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