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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 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

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.


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