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  • 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) - 11:10, 11 June 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...
    14 KB (1,763 words) - 10:44, 12 June 2024
  • 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) - 12:41, 3 June 2024
  • 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 LFINITE_TEMPERATURE = T # compute all optical matrix...
    13 KB (1,897 words) - 09:10, 28 March 2025
  • 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