GWls
This page gives hints on how to perform a GW- Lanczos-Sternheimer calculation with the ABINIT package.
Introduction¶
This functionality is not in production.
A high performance G0W0 implementation [Laflamme2015] has been developed within ABINIT.
Related Input Variables¶
compulsory:
- gw_icutcoul GW CUT-off for COULomb interaction
- optdriver OPTions for the DRIVER
- rcut Radius of the CUT-off for coulomb interaction
- vcutgeo V (potential) CUT-off GEOmetry
expert:
- gwls_band_index GWLS BAND INDEX
- gwls_correlation GWLS CORRELATION
- gwls_diel_model GWLS dielectric model
- gwls_exchange GWLS exact EXCHANGE
- gwls_first_seed GWLS FIRST SEED vector
- gwls_kmax_analytic GWLS KMAX for the ANALYTIC term
- gwls_kmax_complement GWLS KMAX for the COMPLEMENT space.
- gwls_kmax_numeric GWLS KMAX for the NUMERIC term
- gwls_kmax_poles GWLS KMAX for the calculation of the POLES residue
- gwls_list_proj_freq GWLS LIST of the PROJection FREQuencies
- gwls_model_parameter GWLS MODEL PARAMETER
- gwls_n_proj_freq GWLS Number of PROJection FREQuencies
- gwls_npt_gauss_quad GWLS Number of PoinTs to use for the GAUSSian QUADrature
- gwls_nseeds GWLS Number of SEED vectorS
- gwls_print_debug GWLS PRINT level for DEBUGging
- gwls_recycle GWLS RECYCLE
- gwls_stern_kmax GWLS Kmax
Selected Input Files¶
paral:
v67mbpt: