Hello, You could use any software dedicated to EXAFS analysis. For instance : https://bruceravel.github.io/demeter/
When you unpack it use the software call Atom (as stand alone). Atom can generate a list of distance centered on any crystallographic position. Best Regards, Samy Ould-Chikh KAUST Catalysis Center Bldg.3,Level 4, #4231 4700 King Abdullah University of Science & Technology Thuwal 23955-6900 Kingdom of Saudi Arabia Tel: +966 12 8084486 E-mail: samy.ouldch...@kaust.edu.sa Website: http://kcc.kaust.edu.sa/Pages/Home.aspx -----Original Message----- From: rietveld_l-requ...@ill.fr [mailto:rietveld_l-requ...@ill.fr] On Behalf Of Angel L. Ortiz Sent: Friday, December 22, 2017 7:34 PM To: rietveld_l@ill.fr Subject: software to compute list of atoms Dear colleages: Could you suggest me a free software able to compute from the crystal structure the entire list of atoms up to a certain distance of a selected atom taken as reference? Regards -------------------------------------------------------------- Angel L. Ortiz, PhD Associate Professor (Reader) Materials Science and Engineering Department of Mechanical, Energy and Materials Engineering University of Extremadura, Badajoz 06006, Spain (34) 924289600 Ext:86726 (Phone) (34) 924289601 (Fax) http://materiales.unex.es/miembros/personal/al-ortiz/index.html --------------------------------------------------------------- ________________________________ This message and its contents including attachments are intended solely for the original recipient. If you are not the intended recipient or have received this message in error, please notify me immediately and delete this message from your computer system. Any unauthorized use or distribution is prohibited. Please consider the environment before printing this email.
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please do NOT attach files to the whole list <alan.he...@neutronoptics.com> Send commands to <lists...@ill.fr> eg: HELP as the subject with no body text The Rietveld_L list archive is on http://www.mail-archive.com/rietveld_l@ill.fr/ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
