FEFF8-q
About FEFF8-q
Ab initio self-consistent real space multiple-scattering code for simultaneous calculations of dynamic structure factor and electronic structure. The code is strongly based on the FEFF8* code.
The approach builds in core-hole effects. Possible output includes extended x-ray-absorption fine structure (EXAFS), full multiple scattering calculations of various edges and projected local densities of states (LDOS). The spectra include momentum transfer dependence of x-ray edge structure that can be studied with non-resonant inelastic x-ray scattering or with electron energy loss spectroscopy.
Website: http://www.feffproject.org/
Latest version: 8q
Documentation
No publicly facing documentation for FEFF8-q is available. An out-of-date reference on compiling the software is available from ETSF in the FEFF9 Nero Howto.
Compiling and Installing FEFF8-q
Please select your platform:
Packaged binaries for Ubuntu 12.04+ will be made available soon to researchers in the department.
Compiles with the old g77 fortran compiler (e.g. on Korundi).
If you are using a different operating system,
- Please create a new article for your specific platform
- Post the compile instructions on the page
- Let others in the lab know
- Optional: Please create a package for your operating system. If you require assistance, please contact @alldritt@helsinki_fi.
Source Code Access
Source code is not for public distribution. You may ask @sjhuotar@helsinki_fi for access to the original source.