SPECTRAL_TASK (.param)
Keyword type
String
Description
This keyword defines the type of electronic spectroscopy calculation to be performed. Available options are:
- BandStructure - calculates band structure.
- DOS - calculates density of states.
- Optics - performs a TD-DFT calculation of excitation energies and optical spectra.
- CoreLoss - performs core level spectroscopy calculation.
- All - performs all of the above calculations.
Default
BandStructure
Example
SPECTRAL_TASK : optics