electron-scattering <key1> <value1> ...
Calculate electron-electron scattering rates (expensive!) and output contribution to imaginary part of electron self-energy (calculated effectively using full-frequency G0W0).
The following key-value pairs can appear in any order:
eta <eta>
<eta> in Eh specifies frequency grid resolution (required)
Ecut <Ecut>
<Ecut> in Eh specifies energy cut-off for dielectric matrices. (If zero, the wavefunction cutoff from elec-cutoff is used instead.)
fCut <fCut>
<fCut> specifies threshold for considering states fully occupied or unoccupied in optimizing sums over states (default: 1e-6)
omegaMax <omegaMax>
<omegaMax> in Eh is the maximum energy transfer to account for and hence the maximum frequency in dielectric function frequency grid. (if zero, autodetermine from available eigenvalues)
RPA yes|no
If yes, use RPA response that ignores XC contribution. (default: no).
dumpEpsilon yes|no
If yes, dump dielectric function in GG' basis. (default: no).
slabResponse yes|no
Whether to output slab-normal-direction susceptibility instead. This needs slab geometry in coulomb-interaction, and will bypass the actual electron-electron scattering calculation and output.
EcutTransverse <EcutTransverse>
<EcutTransverse> in Eh specifies energy cut-off for dielectric matrix in. directions trasverse to the slab normal; only valid when slabResponse = yes. (If zero, use the same value as Ecut above.)
computeRange <iqStart> <iqStop>
If specified, only calculate momentum transfers in range [iqStart , iqStop] in the current run, in order to split the overall calculation into smaller jobs. Note that the indices are 1-based, and the range includes both end-points. To combine the final results, perform a final run without computeRange specified.
Requires: coulomb-interaction
Forbids: polarizability
Allow multiple: no
Default: (None)
Back to: Input file documentation or Index of commands