#F CromerMann.dat
#D Tue Oct 1 14:43:29 2002
#UT Parametrization of f0 (the non-dispersive part of the atomic scttering factor) vs sin(theta/lambda).
#UF0TYPE PARAMETRIZATION ; TABLE OR TABLE_NOR OR PARAMETRIZATION?
#UIDL xf0
#C This file has been created using f0_CromerMann.pro
#C This file belongs to the DABAX library. More information on
#C DABAX can be found at:
#C http://www.esrf.fr/computing/scientific/dabax
#UD Parametrization of f0 (the non-dispersive part of the atomic scttering factor) vs sin(theta/lambda).
#UD
#UD fo the non-dispersive part of the atomic scattering factor is a
#UD function of the selected element and of sin(theta)/lambda, where
#UD lambda is the photon wavelengh and theta is incident angle.
#UD This function can be approximated by a function:
#UD
#UD f0[k] = c + [SUM a_i*EXP(-b_i*(k^2)) ]
#UD i=1,4
#UD
#UD where k = sin(theta) / lambda and c, a_i and b_i
#UD are the so called Cromer-Mann coefficients.
#UD
#UD The data contained in this file (f0_CromerMann.dat) are
#UD the coefficients of the original paper:
#UD X-ray scattering factors computed from numerical Hartree-Fock wave functions
#UD by Don T. Cromer and Joseph B. Mann
#UD Acta Cryst. (1968) A24,321
#UD
#UD The data in this file has been extracted from the file sf_inc.f
#UD of the library by Brennan and Cowan (S. Brennan and P.L. Cowan (1992)
#UD Rev. Sci. Instrum. 63, 850)
#UD The program suite described by Brennan and Cowan (1992) is
#UD available by ftp from the authors from
#UD http://www-ssrl.slac.stanford.edu/absorb.html or
#UD ftp://ftpa.aps.anl.gov/pub/cross-section_codes/sb-1.0.tar.Z
#UD
#UD A more recent and accurate set of coefficients can be found in the
#UD International Tables for X-ray Crystallography, vol C (1995);
#UD Edited by AJC Wilson, Kluwer Academic Press, pags 500-502). These coefficients are in
#UD DABAX file f0_InterTables.dat
#UD
#UD Note, this is only good out to sin(theta)/lambda < 1.50 [Angstrom^-1].
#UD
#UD See DABAX file f0_xop.dat or f0_WaasKirf.dat for a parametrization valid in the
#UD whole 0