 band_structure | band_structure: evaluates a 4D S(q,w) model along specified k-path / bands |
| dos | iFunc_Sqw4D: dos: compute the density of states (vDOS) |
| iFunc_Sqw4D | |
| max | iFunc_Sqw4D: max: get a quick estimate of the max dispersion frequency |
| powder | data = powder(model, p, q, w) : evaluate a 4D S(hkl,w) model/data set into a 2D S(|q|,w) data set for e.g. powders |
| publish | iFunc_Sqw4D: publish: generate a readable HTML document and export results to |
| thermochemistry | iFunc_Sqw4D/thermochemistry: compute thermodynamic quantities for 4D S(q,w) models. |
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