[Ifeffit] software installation

2019-10-11 Thread Shultz, Mary Jane
Has anyone had issues with software installation? I have installed it on a Windows machine (64 bit, 7 pro). It appears to install, but when I try to run it, it starts but immediately shuts down. Am I missing something? Thanks M Three colleagues are having the same issue.

Re: [Ifeffit] software installation

2019-10-11 Thread mauricio.maps
I was using AVG antivirus and had the same issue. Changed to Avast and now it works fine. Try to disable your antivirus to see if it works. Em sex, 11 de out de 2019 às 17:01, Shultz, Mary Jane escreveu: > Has anyone had issues with software installation? I have installed it on a > Windows

Re: [Ifeffit] software installation

2019-10-11 Thread Ravel, Bruce
By a very long stretch, the most common explanation for problems on Windows is that your anti-virus software is blocking something that the software needs. You might try digging through the AV log files to see if a file installed with Demeter shows up. If you are your administrator can

Re: [Ifeffit] software installation

2019-10-11 Thread Shultz, Mary Jane
Thanks – that did it. Mary From: Ifeffit On Behalf Of mauricio.maps Sent: Friday, October 11, 2019 4:14 PM To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] software installation I was using AVG antivirus and had the same issue. Changed to Avast and now it works fine. Try to disable

[Ifeffit] XAS fitting

2019-10-11 Thread Wang, Maoyu
Hi I am running an EXAFS fitting for spinel Co3O4. As we know, the Co3O4 will have two different two local coordinations. One is 6 Co-O coordinated octahedral site, and another one is 4 Co-O coordinated tetrahedral site. When we run the Feff calculation, we can only use one Co site to do the

Re: [Ifeffit] XAS fitting

2019-10-11 Thread Mike Massey
The short, short version, in my estimation, is "pick two paths as a reasonable starting point and let the fitting parameters do the rest." You could even use two clones of the same path, which will end up getting different CNs, delr, and ss in the fit. There's no law that says you have to use

Re: [Ifeffit] XAS fitting

2019-10-11 Thread Chris Patridge
You can run two calculations and import the paths and scale the contributions from each site. There are a lot of examples and this has been discussed before on the mailing list if you search. Hope that helps, Chris * Dr. Chris Patridge Assistant

[Ifeffit] Geting Trouble in Fitting CuZr2 strucutr with Cu33Zr67 alloy using simulations

2019-10-11 Thread Akash Deshmukh
I am trying to do EXAFS fitting using simulations for Cu33Zr67 (Cu33). After running lammps program, I have got.XYZ files for the Cu33. While running edamd command, I am not getting output files. However, the program is running continuously for more than 12 hours. I am considering CuZr2 crystal