Polarizability Struct Reference

Calculate the polarizability in a convenient eigenbasis. More...

#include <Polarizability.h>

Public Types
enum	EigenBasis { NonInteracting, External, Total }
	Response-matrix whose eigen-basis to use for final output. More...

Public Member Functions
void	dump (const class Everything &e)
	compute and dump polarizability eigenvectors and matrix elements

Public Attributes
enum Polarizability::EigenBasis	eigenBasis
double	Ecut
	energy-cutoff for occupied-valence pair densities (if zero, 4*Ecut of wavefunctions)
int	nEigs
	number of eigenvectors in output (if zero, output all)
vector3	dk
	k-point difference at which to obtain results
string	dkFilenamePattern
	if non-null, read wavefunctions and eigenvalues for offset states form here

Friends
class	PairDensityCalculator

Detailed Description

Calculate the polarizability in a convenient eigenbasis.

Member Enumeration Documentation

enum Polarizability::EigenBasis

Response-matrix whose eigen-basis to use for final output.

Enumerator
NonInteracting	Non-interacting response of Kohn-Sham system.
External	Charge response to external electrostatic potential.
Total	Charge response to total electrostatic potential.

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

• electronic/Polarizability.h