Prepares the data for an animated 3d display of a magnetic
structure
Input:
-
The crystal data file must contain all the information that would
be required for magnetic structure factor calculations viz:
- Symmetry (S) cards
Cell (C) card
Atom (A) cards
Form factor (F) cards
Magnetic structure (Q) cards
in addition special
"X" cards
can be given to describe the graphical
output these are:
- X <Atom Name> SYMB <Data> indicating how to draw each type of
- atom.
There may be only one SYM
B card
with a matching <Atom Name> for
each
A card
.
The <Data> are a real number, the radius of the atom in Angstrom
units followed by the RGB components of the colour to be used to
paint it (as floating point fractions).
If the atom has a magnetic moment the name for the arrow colour
must also be given.
The radii and colours can also be set interactivly in the dsiplay program.
Output:
-
The usual listing file reporting what was read from the
crystal data file and how it was interpreted.
An ASCII format file which is to be passed to the OpenGL program
Mag3dGL which will display the structure.
Running the program:
-
The magnetic structure can then be displayed oon a MAC running OSX with
the Mag3dGL application.
Calls:
- ASK
DEGREE
EQPOS
ERRMES
FILNOM
GMADD
GMEQ
GMPRD
GMREV
GMSCA
GMSUB
GMTRAN
INDFIX
INDFLO
JGMEQ
JGMZER
KSTARS
LATGEN
MAGCNC
NOPFIL
ORTHO
PREFIN
RADIAN
RDNUMS
ROTSYM
SCALPR
SETFCM
SPHPOL
UNIVEC
Common blocks used:
-
- /ATNAM/ to use ATNAME
- /CARDRC/ to use ICRYDA
- /CELPAR/ to use ORTH
- /CONSTA/ to use TWOPI
- /IOUNIT/ to use LPT
- /MAGDAT/ to use NMAG MAGAT ANGM SMOD PHIH FCENT IPTAB SPIND
- /MGLDAT/ to use all members
- /POSNS/ to use NATOM
- /NSYM/ to use NCENT NOPC NLAT
- /SATELL/ to use KSTAB NKC
- /SCRACH/ to use MESSAG
- /SYMDA/ to use TRANS ALAT
- /SYMMAG/ to use OTRSYM MTYP MODUL
*** MG3DGL Updated for PSI's C141 March 2006 ***
Classification:
Magnetic Structure Factors . . . . . . . Main Program
P. Jane Brown
e-mail: brown@ill.fr
Institut Laue Langevin,
Grenoble, FRANCE