GW: Secant solver (yambo -g s)
Default options | ||||
| gw0 | # | (R)(GW) | GoWo Quasiparticle energy levels | |
| HF_and_locXC | # | (R)(XX) | Hartree-Fock Self-energy and Vxc | |
| EXXRLvcs | RL | # | (XX) | Exchange RL components |
| %GbndRnge | ||||
| 1|50| | # | (GW)(G) | W bands range | |
| % | ||||
| GDamping | eV | # | (GW)(G) | W damping |
| dScStep | eV | # | (GW) | Energy step to evalute Z factors |
| %BndsRnXd | ||||
| 1|50| | # | (Xd) | Polarization function bands | |
| % | ||||
| NGsBlkXd | RL | # | (Xd) | Response block size |
| %DmRngeXd | ||||
| 0.10000|0.10000| | eV | # | (Xd) | Damping range |
| % | ||||
| ETStpsXd | # | (Xd) | Total Energy steps | |
| %LongDrXd | ||||
| 1.000000|0.000000|0.000000| | cc | # | (Xd)(Xd) | Electric Field |
| % | ||||
| DysSolver | # | (GW) | Dyson Equation solver (`n`,`s`,`g`) | |
| %QPkrange | ||||
| 1| 10| 1| 50| | # | (GW)(G) | QP generalized Kpoint/Band indices | |
| % | ||||
| %QPerange | ||||
| 1| 10| 0.0|-1.0| | # | (GW)(G) | QP generalized Kpoint/Energy indices | |
| % | ||||
Advanced options | ||||
| Verbosity level: -V RL | ||||
| FFTGvecs | RL | # | (FFT) | Plane-waves |
| EMStpsXd | o/o | # | (Xd)(Xd) | Memory Energy steps |
| DrudeWXd | eV | # | (Xd) | Drude plasmon |
| Verbosity level: -V qp | ||||
| XfnQPdb | # | (EXTQP)(Xd) | Database | |
| XfnQP_N | # | (EXTQP)(Xd) | Interpolation neighbours | |
| %XfnQP_E | ||||
| 0.000000|1.000000|1.000000| | # | (EXTQP)(Xd) | E parameters (c/v) | |
| % | ||||
| %XfnQP_W | ||||
| 0.000|0.000|0.000|0.000| | # | (EXTQP)(Xd) | W parameters (c/v) | |
| % | ||||
| XfnQP_Z | # | (EXTQP)(Xd) | Z factor (c/v) | |
| GfnQPdb | # | (EXTQP)(G) | Database | |
| GfnQP_N | # | (EXTQP)(G) | Interpolation neighbours | |
| %GfnQP_E | ||||
| 0.000000|1.000000|1.000000| | # | (EXTQP)(G) | E parameters (c/v) | |
| % | ||||
| %GfnQP_W | ||||
| 0.000|0.000|0.000|0.000| | # | (EXTQP)(G) | W parameters (c/v) | |
| % | ||||
| GfnQP_Z | # | (EXTQP)(G) | Z factor (c/v) | |
| Verbosity level: -V resp | ||||
| DmERefXd | eV | # | (Xd) | Damping reference energy |
| CGrdSpXd | o/o | # | (Xd)(Xd) | Coarse grid controller |
| %EhEngyXd | ||||
| Verbosity level: -V io | ||||
| StdoHash | # | (IO) | Live-timing Hashes | |
| Verbosity level: -V gen | ||||
| Nelectro | # | Electrons number | ||