BSE solver: Haydock recursion method (yambo -y h)
Default options | ||||
| bss | # | (R)(BSS) | Bethe Salpeter Equation solver | |
| bse | # | (R)(BSK) | Bethe Salpeter Equation. | |
| optics | # | (R)(OPT) | Optics | |
| BSresKmod | # | (BSK) | Resonant Kernel mode. (`x`;`c`;`d`) | |
| BScplKmod | # | (BSK) | Coupling Kernel mode. (`x`;`c`;`d`;`u`) | |
| %BSEBands | ||||
| 1|50| | # | (BSK) | Bands range | |
| % | ||||
| BSENGBlk | RL | # | (BSK) | Screened interaction block size |
| BSENGexx | RL | # | (BSK) | Exchange components |
| BSSmod | # | (BSS) | Solvers `h/d/i/t` | |
| %BEnRange | ||||
| 0.00000|10.00000| | eV | # | (BSS) | Energy range |
| % | ||||
| %BDmRange | ||||
| 0.10000|0.10000| | eV | # | (BSS) | Damping range |
| % | ||||
| BEnSteps | # | (BSS) | Energy steps | |
| %BLongDir | ||||
| 1.000000|0.000000|0.000000| | cc | # | (BSS)(BSS) | Electric Field |
| % | ||||
Advanced options | ||||
| Verbosity level: -V RL | ||||
| FFTGvecs | RL | # | (FFT) | Plane-waves |
| Verbosity level: -V qp | ||||
| KfnQPdb | # | (EXTQP)(BSK)(BSS) | Database | |
| KfnQP_N | # | (EXTQP)(BSK)(BSS) | Interpolation neighbours | |
| %KfnQP_E | ||||
| 0.000000|1.000000|1.000000| | # | (EXTQP)(BSK)(BSS) | E parameters (c/v) | |
| % | ||||
| %KfnQP_W | ||||
| 0.000|0.000|0.000|0.000| | # | (EXTQP)(BSK)(BSS) | W parameters (c/v) | |
| % | ||||
| KfnQP_Z | # | (EXTQP)(BSK)(BSS) | Z factor (c/v) | |
| Verbosity level: -V resp | ||||
| NonPDirs="none" | # | X/BSS Non periodic chartesian directions (X,Y,Z,XY...) | ||
| ALLGexx | RL | # | Force the use use all RL vectors for the exchange part | |
| BSHayTrs | o/o | # | (BSS)(BSS) | Haydock treshold. Strict(>0)/Average(<0) |
| BSHayTer | # | (BSS) | Terminate Haydock continuos fraction | |
| Verbosity level: -V io | ||||
| StdoHash | # | (IO) | Live-timing Hashes | |
| Verbosity level: -V gen | ||||
| Nelectro | # | Electrons number | ||