start doing GW calculations it might be beneficial to have a look at the examples on the description of dielectric properties. To do GW calculations we have...
7 KB (1,091 words) - 08:43, 14 November 2019
for a lot of bands in GW LOPTICS = .TRUE. # we need d phi/ d k for GW calculations for long-wave limit Restart VASP. At this stage it is a good idea to...
14 KB (1,739 words) - 11:41, 8 April 2022
one described in Si bandstructure. Mind: The standard procedure for GW calculations is described in Bandgap of Si in GW. Everything starts with a standard...
7 KB (1,000 words) - 08:45, 14 November 2019
example): QP shifts <psi_nk| G(iteration)W_0 |psi_nk>: iteration 1 for sc-GW calculations column KS-energies equals QP-energies in previous step and V_xc(KS)=...
6 KB (791 words) - 13:20, 14 November 2019
for a lot of bands in GW LOPTICS = .TRUE. # we need d phi/ d k for GW calculations for long-wave limit Restart VASP. At this stage it is a good idea to...
10 KB (1,491 words) - 14:38, 20 February 2024
for a lot of bands in GW LOPTICS = .TRUE. # we need d phi/ d k for GW calculations for long-wave limit Restart VASP. At this stage it is a good idea to...
13 KB (1,631 words) - 15:08, 8 April 2022