Output self-interaction correction for the KS eigenvalues. More...

#include <Dump_internal.h>

Public Member Functions
	DumpSelfInteractionCorrection (const Everything &e)

double	operator() (std::vector< diagMatrix > *correctedEigenvalues)
	Evaluates the self interaction energy and (optionally) returns the corrected band eigenvalues.

void	dump (const char *filenamePattern)

Public Attributes
bool	needsTau
	The kinetic energy density is needed for meta-gga functionals.

Detailed Description

Output self-interaction correction for the KS eigenvalues.

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

Public Member Functions