Manual:External utilities:oct-casida spectrum

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NAME

oct-casida_spectrum - Broadens the linear-response spectra from the Casida run mode.

SYNOPSIS

oct-casida_spectrum

[oct-casida_spectrum does not read standard input: all standard input will be simply ignored. An input file named inp must be present in the running directory. Also, oct-casida_spectrum accepts no command line arguments, since there is not a standard way to do this with Fortran 90.]

DESCRIPTION

This program is one of the Octopus utilities.

It post-processes the files casida/casida, casida/petersilka and casida/eps_diff, that contain the excitation energies and oscillator strengths.

The parameters of the spectrum can be set using the variables CasidaSpectrumBroadening, CasidaSpectrumMinEnergy, CasidaSpectrumMaxEnergy, and CasidaSpectrumEnergyStep.


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