% Copyright (c) 2000 Bruce Ravel % Permission is granted to copy, distribute and/or modify this % document under the terms of the GNU Free Documentation License, % Version 1.0 or any later version published by the Free Software % Foundation; with the Invariant Sections being "EXAFS Analysis % Using FEFF and FEFFIT, Part 1: Presentation", "EXAFS Analysis % Using FEFF and FEFFIT, Part 2: Commentary", and all related % analysis examples, with no Front-Cover Texts, and with no % Back-Cover Texts. A copy of the license is included in the % section entitled "GNU Free Documentation License". % % % This file (and all files associated with `EXAFS Analysis Using FEFF % and FEFFIT') are free documentation; you can redistribute it and/or % modify it under the terms of the GNU Free Documentation License as % published by the Free Software Foundation; either version 1, or (at % your option) any later version. % % You should have received a copy of the GNU Free Documentation License % along with `EXAFS Analysis Using FEFF and FEFFIT'; see the file % COPYING. If not, write to the Free Software Foundation, 675 % Massachusettes Ave, Cambridge, MA 02139, USA. % % Permission is granted to make and distribute verbatim copies of this % manual provided the copyright notice and this permission notice are % preserved on all copies. % % Permission is granted to copy and distribute modified versions of this % manual under the conditions for verbatim copying, provided that the % entire resulting derived work is distributed under the terms of a % permission notice identical to this one. % % Permission is granted to copy and distribute translations of this % manual into another language, under the above conditions for modified % versions, except that this permission notice may be stated in a % translation approved by the author. %% With EuTiO3, we get out first example of multiple data set %% refinement. In this case we are looking at data from the Ti K and %% Eu L3 edges simultaneously. Clearly we should measure the same %% local structure from both sites, so this co-refinement allows us to %% share parameters between the data sets. Hopefully this will allow %% us to better measure the structural parameters. %% %% This file also introduces the concept of include files -- a very %% useful tool! Include files allow you to separate parts of your %% input files into organizational units. I find that several small %% include files are easier to manage than one huge, rambling input %% file. %% %% In this example I have 5 include files. One contains all set and %% guess parameters. There are one each for the operation parameters %% of each data set and one each for the path paragraphs of each data %% set. % norun include params.inp %% set and guess variables title = cubic EuTiO3 15K data = data/ti015k.chi out = fits/ti015 kspout = true % bkg = false % bkgfile = fits/ti015k.bkg % local temp 15 include tihead.inp include tipaths.inp next data set data = data/eu015k.chi out = fits/eu015 kspout = true % bkg = false % bkgfile = fits/eu015k.bkg % local temp 15 include euhead.inp include eupaths.inp !!&& Local Variables: !!&& input-out-path: "fits/" !!&& input-feff-path: "feff/" !!&& input-data-path: "data/" !!&& input-program-name: "feffit" !!&& End: %# Input-mode Time-stamp: <2000/06/10 21:24:40 bruce>