JDFTx  1.0.0
electron-scattering

Syntax:

electron-scattering <key1> <value1> ...

Description:

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 resolution and half the imaginary part ascribed to probe frequency (if zero, the electron temperature is used.)

  • 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)

Properties:

Requires:     (None)

Forbids:     polarizability

Allow multiple:    no

Default:     (None)

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