Corvus: Corvus is a scientific workflow framework for development of workflows that require calculations by one or more external scientific software packages, with specific focus on calculations of spectroscopy. It is meant to facilitate both the development and end use of such workflows. Currently, Corvus has workflows for a variety of external codes and python packages, including FEFF10, abinit, VASP, NWCHEM, lmfit, and OCEAN. Some of the newest features include workflows for fitting XANES calculations, calculations of optical constants that span UV to x-ray energies, and automated RIXS calculations.

FEFF10: FEFF10 is a new version of the FEFF, real-space multiple scattering Green's function code for calculations of x-ray and related spectroscopies. FEFF10 is widely used for calculations of x-Ray absorption, and is capable of calculating a multitude of other spectroscopies. Currently, FEFF10 can calculate XAS, XES, EELS, NRIXS, RIXS, and Compton among other spectroscopic quantities. Other useful properties, such as densities of states, and atomic charge can also be calculated. New features in FEFF10 include support for finite temperature XAS and XES, support for superheavy elements up to Z=138, and full-spectrum optical constant calculations in concert with Corvus.