Re: [Ifeffit] Artemis Feff calculation error

2014-06-02 Thread Bruce Ravel
Oops! There was still a problem with the feff.inp file I attached in my last email. The attached is actually correct for feff6. B On 06/02/2014 05:24 PM, Bruce Ravel wrote: Your feff.inp file is for feff8. For all the reasons discussed on this list at great length, artemis doesn't try ver

Re: [Ifeffit] Artemis Feff calculation error

2014-06-02 Thread Bruce Ravel
Your feff.inp file is for feff8. For all the reasons discussed on this list at great length, artemis doesn't try very hard to use feff8. I have attached the same file, edited to use feff6. It runs fine for me. As for the EDGE vs HOLE thing, that is Artemis trying to be 'helpful' in dealing wi

[Ifeffit] Artemis Feff calculation error

2014-06-02 Thread Schima, Frank
Hi all, I’m running Demeter 0.9.18.3 from Macports on Mac OS X 10.9.3. We are seeing an error in a Feff calculation that we don’t understand and we are hoping someone can point out what we are doing wrong. STEPS TO REPRODUCE: 1. Launch artemis 2. Open File->Import->Chi(k) data and select the

Re: [Ifeffit] Demeter on Ubuntu 14.04

2014-06-02 Thread Bruce Ravel
On 06/02/2014 10:17 AM, Denis Testemale wrote: I'd like to raise a related issue to complete my initial bug report and try to understand better those problems (which could occur again in the future). To install demeter initially (last year I think) I followed this procedure: https://gist.github.c

Re: [Ifeffit] Demeter on Ubuntu 14.04

2014-06-02 Thread Denis Testemale
Bruce, thanks for looking into that. And my apologies for the dodgy and incomplete bug report. Right to the point: - the command env | grep LC returns nothing... - the command: perl -e 'printf("%.3f\n", 5.23456)' returned 5.23456. So you're stumped, right? :-) - but env | grep LANG returns: