Apply Gaussian and Lorentzian broadening to data from ab initio
calculations. The two main intended applications are
1. Broadening of electronic density-of-states to simulate photoemission
spectroscopy (PES) data. Orbital contributions may also be weighted to
account for the frequency-dependent photoionisation cross-section.
2. Application of Lorentzian instrumental broadening to simulated
Raman spectra from DFPT calculations.
Raw data
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