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BGWparams Struct Reference

Parameters for BGW output. More...

#include <Dump_internal.h>

Public Attributes

int nBandsDense
 if non-zero, use a dense ScaLAPACK solver to calculate more bands
int blockSize
 block size for ScaLAPACK diagonalization
int clusterSize
 maximum eigenvalue cluster size to allocate extra ScaLAPACK workspace for
double EcutChiFluid
 KE cutoff for fluid polarizability output (enabled if non-zero)
vector3 q0
 zero wavevector replacement used for polarizability output
double freqReMax_eV
 maximum real frequency in eV
double freqReStep_eV
 real frequency grid spacing in eV
double freqBroaden_eV
 broadening (imaginary part) of real frequency grid in eV
int freqNimag
 number of imaginary frequencies
double freqPlasma
 plasma frequency in Hartrees used in GW imaginary frequency grid, set to zero for RPA frequency grid

Detailed Description

Parameters for BGW output.

The documentation for this struct was generated from the following file: