Hi Joji, Artemis isn't really the right tool for XANES analysis. The path expansion is reliable in the near edge only in rare situations. To do xanes simulations, you should consider getting a coipy of feff8 and using it's full multiple scattering and self-consistent field capabilities. You will almost certainly be happier not using artemis to edit the feff8 input files and run feff8. B On Thursday 26 July 2007, Joji Kuniya wrote:
Dear Sirs
I am a beginner in XANES analysis. I tried to XANES simulation of Pt by Artemis program. Artemis stopped the calculation by memory limitation. I tried to down cluster size and RMAX parameter, and added "NLEG 4" after FMS sentence on feff.inp. But Artemis stopped the calculation with the same warning again. Please teach me how to make a good feff.inp file for XANES analysis. My PC is a notebook type PC(ThinkPad T60 with 2G memory). Thnak you.
Joji Kuniya
-- Bruce Ravel ---------------------------------------------- bravel@anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/