| 359 | } |
| 360 | |
| 361 | std::string smearing_name(int ismear) { |
| 362 | if (ismear == -1) { |
| 363 | return "fermi_dirac"; |
| 364 | } |
| 365 | if (ismear == 0) { |
| 366 | return "gaussian"; |
| 367 | } |
| 368 | if (ismear == 1) { |
| 369 | return "methfessel_paxton_order1"; |
| 370 | } |
| 371 | if (ismear == -5) { |
| 372 | return "tetrahedron_bloechl"; |
| 373 | } |
| 374 | return "unknown"; |
| 375 | } |
| 376 | |
| 377 | OccupationResult compute_occupations_kpoints(const OccupationInput& input) { |
| 378 | const int n_k = static_cast<int>(input.eigenvalues_by_k.size()); |
no outgoing calls
no test coverage detected