DATA FOLLOWING ALLOWED CCSL WORDS:
MPOL
Data
CCSL-word/number pairs : the names of the multipoles and their amplitudes.
Multipole names have the form Y where:
and
are digits in the range 0 to 6 with
is a sign, being one of
or ``space".
The amplitude is that of the real combination of the spherical
harmonics and
. Thus the amplitude of Y
+
multiplies the combination
FORM
Data
Words which indicate the radial form factors to be used for the different
L values of multipoles describing the scattering factor with this label .
The words may be either:
RADF, in which case the radial wave-function giving this scattering factor
should be given on W label RADF cards.
or:
scattering-factor-label / L-value pairs (L0), where the form factor on the
corresponding F card applies to the multipoles with
this value of L.
The form factor for L=0 is that corresponding to label .
No J FORM cards are needed for scattering factors described by monopoles only
EXAMPLES:
J Mn2 MPOL Y20 0.25 Y22+ 0.1
J Mn FORM RADF
These indicate that the quadropole functions and
are to
be used to model the density around Mn2, and that the associated radial form
factors are to be calculated from radial wave functions given on W Mn RADF cards .
J Mn FORM Mn2j 2 Mn4j 4
This indicates that the form factors labelled Mn, Mn2j and Mn4j
read from F cards
are to be used for the monopoles quadropoles and octopoles respectively on atoms
whose normal form factor name is Mn.
ROUTINES WHICH READ THE CARDS:
Routines MPFORM and PFSET call INPUTJ to read the J FORM and MPOL cards