Commit 6ba92e50 by Francois Gygi

Update spectrum command help msg

parent 80c343da
......@@ -41,9 +41,20 @@ class SpectrumCmd : public Cmd
{
return
"\n spectrum\n\n"
" syntax: spectrum\n\n"
" The spectrum command computes dipole matrix elements \n"
" between occupied and empty orbitals.\n\n";
" syntax: spectrum de width filename\n\n"
" spectrum [emin emax] de width filename\n\n"
" The spectrum command computes the dipole transition strength\n"
" between occupied and empty orbitals, following a calculation of\n"
" Kohn-Sham eigenvalues and eigenfunctions. The corresponding absorption\n"
" spectrum is written on an output file after convolution with a\n"
" gaussian function.\n"
" emin, emax: energy range (optional)\n"
" de : energy spacing of values in the output file\n"
" width : width of the gaussian function used in the convolution\n"
" filename : output file name\n"
" If the emin, emax parameters are not given, the energy range is defined\n"
" by all possible transitions between occupied and empty orbitals,\n"
" All energy parameters must be given in eV.\n\n";
}
int action(int argc, char **argv);
......
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