DL_Excurv

DL_Excurv is a new version of the Excurv98 program, for structural analysis of EXAFS spectra.

A new release of DL_EXCURV v1.0 is now available for Windows and Linux.

The old EXCURV98 package has been re-written in modular Fortran90. System dependencies have been removed and the new code, DL_EXCURV, will run on platforms ranging from Windows PC systems through to Unix workstations. In addition, the code has been interfaced to the Daresbury Laboratory Visualize package DLV that provides a powerful environment for the visualisation and manipulation of EXAFS data. The DLV package also provides a graphical user interface (GUI) to the DL_EXCURV program. 

The current version of the DLV GUI supports both single scattering and full multiple scattering analysis of EXAFS data. Within the single scattering mode the package reports the radius of shells of atoms surrounding the emitter, the Debye-Waller factors, and the occupation numbers of the shells. In multiple scattering mode a full three dimensional structural determination is performed. DL_EXCURV v1.0  is available for Linux, Windows and Mac OSX, together with the DLV package, provides the following functionality:

 


The EXAFS spectra of Mo(CO)6 calculated using the DL_EXCURV interface within DLV

 
The cluster structural model of Mo(CO)6 displayed in DLV 3DView window

 

Future versions will also provide self-consistent potential/phase shifts calculations.

  link DL_EXCURV packages have moved to CCPForge. Just follow the 'Release' link
 
 This program has been developed as part of the CCP3 Flagship grant

Reference

S. Tomic et al, CCLRC Technical Report DL-TR-2005-001, ISSN 1362-0207 (2005)
 
 
Problems or questions - Contact us (We will attempt to answer questions but due to recent changes in staff and funding we are not longer able to fully support this application)