(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