JDFTx  1.2.0
DumpSelfInteractionCorrection Class Reference

Public Member Functions

 DumpSelfInteractionCorrection (const Everything &everything)
 
double operator() (std::vector< diagMatrix > *correctedEigenvalues)
 
double coulombExciton (int q1, int n1, int q2, int n2)
 Evaluates the self interaction energy and (optionally) returns the corrected band eigenvalues.
 
void dump (const char *filenamePattern)
 Approximates the coulomb excitonic contribution between two states.
 

Public Attributes

bool needsTau
 

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