Fhkl
Fonctions :
Fhkl is an interactive menu driven program which allows to :
- compute structure factors (Fhkl), dielectric suceptibilities
(Khi) and absorption coefficients (mu/rho) for a given wavelength
(lambda) in a range of reflexions
hkl, or for a given reflexion hkl in an energy range.
Atomic diffusion factors (f) are interpollated by the program
using data from International Tables. Dispersion corrections
(f' and f'') may be computed using a sub-program due to
Don T.Cromer, or using data from B.L.Henke and al. Isotrope or
anisotrope
thermic agitation can also be taken into account.
- draw curves of f versus sin(teta)/landa, f' or
f'' versus the energy, mu/rho versus the energy.
- draw the reflecting power (rocking curves) in the Bragg
case or in transmission, taking into account the
perpendicular or paralell polarization of the incident beam.
- perform operations on rocking curves: addition or
multiplication by a constant, addition, correlation or
convolution of two curves.
Fhkl needs only a data file containing informations
on the atoms of the asymetric unit of the crystal.
Mandatory Ressources :
Unix machine with C and FORTRAN compilers, and
X-Window and Motif libraries.
X Terminal or a screen supporting X-Window.
Example :
An example is described in detail in the documentation :
the quartz.
Documentation :
Publication :
FHKL - a program to compute rocking curves and crystallographic data of
interest for the dynamical theory of X-rays.
Journal of Applied Crystallography, Vol. 28 (1995) 244
Before trying to use Fhkl it is recommanded to read the
documentation.
It is available in files of different format: Ascii, Postscript and
HTML.
Distribution :
Sources of the program are freely available (without guaranty) by
ftp, in compressed tar files :
Fhkl2.2.tar.gz
from the external network, or
Fhkl2.2.tar.gz
from the local network.