% 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. %% Two oxygen paths that might be of some importance. The sigma^2 %% math expressions probably evaluate to too small of a value. set psa sqrt( (a/2)**2 + (rtio1_sh + (dopl-dti)*c)**2 ) set pp sqrt( 2*(a/2)**2 ) % set pla sqrt( (a/2)**2 + (rtio1_lo - doax*c)**2 ) path 33 feff/feff0004.dat id 33 planar - short axial triangle, reff=3.304 delr 33 (rtio1_sh + rtio2 + psa ) / 2 - reff sigma2 33 (1+sqrt(2))*sigo_p e0 33 e0o_p ei 33 eio path 34 feff/feff0005.dat id 34 planar - planar triangle, reff=3.360 delr 34 (rtio2 + rtio2 + pp ) / 2 - reff sigma2 34 (1+sqrt(2))*sigo_p e0 34 e0o_p ei 34 eio % path 35 feff/feff0007.dat % id 35 planar - long axial triangle, reff=3.534 % delr 35 (rtio1_sh + rtio2 + pla ) / 2 - reff % sigma2 35 (1+sqrt(2))*sigo_p % e0 35 e0o_p % ei 35 eio % !!&& 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 21:11:55 bruce>