JDFTx  1.7.0
usage: CD [-h] --dmu DMU --n_blocks N_BLOCKS --n_bands N_BANDS
          [--domega DOMEGA] [--omegaMax OMEGAMAX] [--T T]
          [--omegaAnalysis [OMEGAANALYSIS ...]]

Compute circular dichroism (CD) from DFT outputs.

  -h, --help            show this help message and exit
  --dmu DMU             Change in mu relative to mu (if available) or VBM of
                        DFT calculation [eV]
  --n_blocks N_BLOCKS   Read eigenvals and momenta files with prefix 1, 2, 3,
                        ... nblocks
  --n_bands N_BANDS     Number of bands to use for CD spectrum
  --domega DOMEGA       Bin size for histogram [eV]
  --omegaMax OMEGAMAX   Frequency cutoff of CD signal [eV]
  --T T                 Temperature at which to compute CD [K]
  --omegaAnalysis [OMEGAANALYSIS ...]
                        One or more frequencies to perform transition analysis