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TIMES Software Repository on GitHub

FEFF10, OCEAN, and CORVUS

FEFF10 is the most recent version of the real-space multiple scattering code FEFF for calculating a wide variety of spectroscopies, including XAS, XES, EELS, and Compton scattering. The FEFF code has been extensively used, especially for calculation and analysis of XAS (both EXAFS and XANES) and XES. There are a variety of new features available in FEFF10, including finite temperature calculations of XAS, extension to super-heavy elements up to Z=138, and calculations of resonant inelastic x-ray scattering.

OCEAN is an ab initio Density Functional Theory (DFT) + Bethe-Salpeter Equation (BSE) code for calculations of core-level spectra. Currently the code allows for the calculations of x-ray absorption spectra (XAS), x-ray emission (XES), non-resonant x-ray inelastic x-ray spectra (NRIXS), and (direct) resonant inelastic x-ray scattering (RIXS) of periodic systems. The code is written in Fortran90 with associated shell and Perl scripting.

CORVUS is a Python package designed for managing workflows of physical simulations that span multiple scientific codes. It is intended to accommodate a spectrum of users. At one end, a beginner user only interested in running a specific type of calculation can be provided with a pre-built workflow and concern themselves only with modifying their input; at the other end, an expert user can utilize the internal tools to build their own custom scientific workflows. The Python language allows us to provide a tool that can act as an executable program and an accessible library, satisfying either type of user.

TIMES Software GitHub

The original FEFF Project at the University of Washington

Previous FEFF releases, AI2NBSE, RT-SIESTA, and more

The FEFF Project at the University of Washington specializes in theoretical methods for spectroscopy, offering a variety of condensed matter tools for modelling x-ray and electron spectroscopies and materials properties. These tools include FEFF9, and prior releases, a popular and user-friendly program with a GUI that calculates XAS and EELS based on Green's functions theory. Other codes, such as AI2NBSE, are based on band structure methods and calculate optical and core loss spectra in the Bethe-Salpeter approach. RT-SIESTA is a real-time time-dependent density functional theory code for the computation of linear and non-linear optical response. These codes and more can be found on the FEFF Project site at the University of Washington.

The FEFF Project at UW

Web-based Software