self-consistent GW
Posted: Sun Jul 25, 2010 3:23 pm
Hi,all
I would like to do GW correction using contour integral and self-consistency. Anyone knows the examples input? I studied t85.in in v6 tests, where it is linked to t537. I do not know what is t537. Is it necessary to export wavefunction and energy in QP structure file if I am only interesting the band gap.
Thanks
Zhifan Chen
Clark Atlanta University
USA
I would like to do GW correction using contour integral and self-consistency. Anyone knows the examples input? I studied t85.in in v6 tests, where it is linked to t537. I do not know what is t537. Is it necessary to export wavefunction and energy in QP structure file if I am only interesting the band gap.
Thanks
Zhifan Chen
Clark Atlanta University
USA