FDMNES

Abstract

Le programme FDMNES permet de simuler les spectroscopies d'absorption X, XANES ou RXS autour des seuils d'absorption. Un ensemble comprenant un executable Windows XP, le programme FORTRAN 90, des exemples et le manuel, peut être librement téléchargé:

The FDMNES program allows the calculation of x-ray spectroscopies, XANES or RXS, around the threshold edges. A package including a Windows XP executable, the FORTRAN 90 routines, a set of examples and the manual can be freely downloaded.

Details

Author
Yves Joly
Platforms
Windows executable + fortran 90 source code
Terms
Free download

Homepage

http://neel.cnrs.fr/spip.php?article876&lang=en

Contact

Yves Joly -- <SPAM SUPPRESSION yves DOT joly AT grenoble DOT cnrs DOT fr>

Citation

Y. Joly X-ray absorption near edge structure calculations beyond the muffin-tin approximation Phys. Rev. B 63, 125120-125129 (2001).

Compatibility

FDMNES allows to import potential from Wien2K package. Spectra from FDMNES are used for the XANES fitting in the Software/FitIt

Screenshots


Software/FDMNES (last edited 2009-10-09 19:50:59 by localhost)