GNXAS NEWSThe latest release of the gnxas package compiled by the XAS group @ Camerino University is labeled as 12.2023 (linux, gfortran compiler, 64bit). Other previous releases are the 12.2006 (linux, g77 compiler) and 11.2013 (linux, gfortran compiler) versions. These programs can be used also on other platforms (for example Windows using WSL) creating an embedded Linux system and following specific instructions (please refer to the guide written by M. Minicucci and A. Trapananti). Other versions compiled for Mac and Windows-based computer may be also available upon request by our collaborators (see below and download webpages). The w-GNXAS programs (GUI interface) developed in 2016 have been now dismissed. 30 December 2025 - Following the upgrades in 2023-2024 a new updated release was prepared including tests of the programs and corrections for minor bugs. The list of the available programs have been updated, eliminating obsolete programs (readder, derconv) and including some utility programs (gdrerr, edxrd, peakfit) previously missing in the package. The fitheo_cm version of the program fitheo is not anymore supported. 20 December 2023 - Important changes in the programs involving precision issues and outputs compatible with gnuplot graphic software have been made. Details about the gnxas upgrade are contained in this document. 10 August 2021 - Important additional features are included in the present release: 1) A new program named "phagen_rel" calculating the scattering matrix including relativistic effects. The new program can be used in place of the standard "phagen" one when dealing with high-Z atomic species. Input and output were designed to be ready for a smooth usage within the GNXAS chain. The program was mainly coded by C. R. Natoli and tested by N. Hara, A. Di Cicco and G. Tchuodinov. Filename extensions for scalar relativistic phase shifts to be used are .sr (scattering matrix), .s0_sr (atomic cross-section). They can directly substitute files .tl and .s0 produced by 'phagen'. Details can be found elsewhere. 2) The rapid EXAFS extraction JESF routine has been revised into the new program NEWJESF for handling datafiles produced at modern beamlines. The usage is self-explanatory, output files for gnuplot and TopDrawer include relevant curves related to the EXAFS extraction (spline, normalization, derivative, EXAFS curves, Fourier Transform). Minor problems in running the 'crymol' program have been solved.
Technical details Programs have an expiration date and must be reinstalled after the given expiration date. Please refer to the GNXAS manual(s) for proper usage of the software. The technical and scientific features of the current GNXAS version (12.2023) are similar to those of version 12.2006 described in the manuals although not identical. The previous (dynamic-linked) version of GNXAS, compiled using the g77 compiler is still available (12.2006) for Linux systems (Final exp. date 2030). Please report any problem/misfunctions using this version of the programs to A. Di Cicco, A. Filipponi (for questions related to Mac, Windows installations you can refer to K. Hatada and A. Trapananti respectively).
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For information about GNXAS please contact: Andrea Di Cicco For information about the versions compiled for Mac, Windows or for the GUI GNXAS interface please contact: Keisuke Hatada |
