Syo – Output
of the symmetry operators
= 0
= 1 Symmetry operators are written in CODFIL.out.
the file CODFIL.sym is also generated if
Sym=1.
N_t – Atom type
=0 Isotropic atom. No anisotropic temperature factors are given.
=2 Anisotropic atom. The anisotropic temperature factors should be
given below.
=4 The form-factor of this atom is calculated using a special
subroutine
=5 the form factor is like that of N_t=4 but additional
ADP are read after the normal reading for N_t=4
=-2 Convert Biso to Bani
=-3 The extension from iso to ani temp. factors for the case of
magnetic atoms when using Shubnikov groups
Ipr – Profile
integrated intensities output or generation of .sub files
=0 No action
=1 Observed and calculated profile intensities written in CODFIL.out
=2 The files CODFILn.sub with the calculated profile of each phase are
generated.
=3 As 2 but the background is added to each profile.