# 6.4.1.4.11. spectrum

Convolutes singlet spectrum with gaussian or lorentzian function The following table contains the defaults input options for the calculator, The default OPTIONAL means this option is switched off, if no input is given. REQUIRED arguments have to be specified, otherwise an error is thrown.

Property Name | Default Value | Description | Valid Input
--- | --- | --- | ---
input | OPTIONAL | orbfile to read from, otherwise use job_name |
output | OPTIONAL | ASCII output filename, if not given use job_name |
job_name | system | Input file name without extension, also used for intermediate files |
fwhm | 0.2 | peak width in eV | float+
lower | 0.0 | lower bound of spectrum in eV | float+
upper | 3.5 | upper bound of spectrum in eV | float+
points | 100 | datapoints between upper and lower to calculate | int+
type | energy | print put energy/wavelength (eV/nm) | energy wavelength
minexc | 0 | lowest exciton to include in spectrum | int+
maxexc | 10000 | highest exciton to include in spectrum | int+
shift | 0.0 | shift spectrum by amount of eV | float+

Note

An xml file containing the defaults for the spectrum calculator can be created via -p spectrum -o FILENAME command line options `