On Monday 20 August 2007, s440697@stud.uni-goettingen.de wrote:
i opened the one big feff84.f file and searched for "nclusx=175" and changed this to "nclusx=300" in the whole file. Then i compiled it with f77 -o and so on. I started my feff-run and it seems to be good. Is this proceeding wise? I don't know much about such things :-/
That seems right to me. As a test, you could compare the result on linux with nclusx=300 to what you ran on windows. If they are the same then the two are equally right (or equally wrong!). B -- 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/