%       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
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% Permission is granted to copy and distribute translations of this
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% norun

title	PbTiO3 Ti K edge 450 K
include header.inp		% general fitting and fft parameters + path 0
data	../data/chi/chiave.450	% average of scans at 450 K
out	fits/450		% output file names 
bkg	false			% compute background if uncommented
bkgfile	fits/450k.bkg		% use previous background if uncommented
kspout	no			% write output in k space
include params.inp		% guess and set values for entire fit
include crys.inp		% initial crystallographic values

%%% temperature of this data set
set	temp		450

include local.inp	% math expressions defining path lengths and angles
include paths.inp	% path paragraphs for 18 paths

%%% include 4th shell oxygens in fit
guess	sigofar	0.004
set	eiofar	0.0
include ofar.inp	% path paragraphs for 5 4th shell O SS paths

include triangle.inp	% path paragraphs for nearby triangle O DS paths


!!&& Local Variables:
!!&& input-out-path: "fits/"
!!&& input-feff-path: "feff/"
!!&& input-data-path: "data/"
!!&& input-program-name: "feffit"
!!&& End:
%# Input-mode Time-stamp: <2000/03/11 21:10:46 bruce>