(Weighted-) density of states calculator More...
#include <DOS.h>
Classes | |
struct | Weight |
Weight-function definition. More... | |
Public Member Functions | |
void | setup (const Everything &) |
initialize | |
void | dump () |
dump density of states to file (filename obtained from Dump) | |
Public Attributes | |
std::vector< Weight > | weights |
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 | |
(Weighted-) density of states calculator