Re: [Ifeffit] Problem with importing projects from ATHENA into ARTEMIS

2014-04-07 Thread Matt Newville
Hi Alexander, I think you may not alone in having this issue. You should be using normalized chi(k) in Artemis, but I don't think Artemis would be reading chi(k) from the project file incorrectly Perhaps there is something strange about how you're doing the normalization? Or perhaps it is

Re: [Ifeffit] Problem with importing projects from ATHENA into ARTEMIS

2014-04-07 Thread Bruce Ravel
There are a number of known problems with the current version of Artemis. It's pretty much impossible for me to troubleshoot without examples being posted to the mailing list. B On 04/07/2014 11:17 AM, Matt Newville wrote: Hi Alexander, I think you may not alone in having this issue.

Re: [Ifeffit] D-Atoms program, common positions and occupancies

2014-04-07 Thread Robert Gordon
Hi Moneed, Bruce is a busy fellow. I doubt he has time to double-check every user's input file. Let's go through some steps that might help you. What reference are you using for CdSe crystal structure? What are (is) the Se positions (position) supposed to be in that structure with the P63mc