JDFTx  1.7.0
DOS Class Reference

(Weighted-) density of states calculator More...

#include <DOS.h>


struct  Weight
 Weight-function definition. More...

Public Member Functions

void setup (const Everything &)
void dump ()
 dump density of states to file (filename obtained from Dump)

Public Attributes

std::vector< Weightweights
 list of weight functions (default: total DOS only)
double Etol
 tolerance for identifying eigenvalues (energy resolution) (default: 1e-6)
double Esigma
 optional gaussian width in spectrum
string eigsFilename
 optional over-ride eigenvalues file

Detailed Description

(Weighted-) density of states calculator

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