To draw magnetic structures in 3D in SGI inventor format
Description:
-
MVENTR is a program to draw magnetic structures, described in a
standard crystal data file, in IRIS inventor ascii format.
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
are required to describe the graphical
output these are:
- X ARRO <Data> to define the proportions of arrows representing
- the magnetic moments.
The <Data> are 4 real numbers: the head length, the head radius,
and the tail radius all given as fractions of the total length
of the arrow. The final number is the scale relating the length
of an arrow in Angstroms to its moment in Bohr magnetons.
- X CM/A <Scale>
- <Scale> gives the scale of the picture in cms/Angstrom unit.
- X <Atom Name> SYMB <Data> indicating how to draw each type of
- atom.
There should be 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 name of the colour to be used to paint it.
If the atom has a magnetic moment the name for the arrow colour
must also be given. The colour names recognised are:
- Red,Tomato,Crimson,Orange,Gold,Yellow,YelGreen,Green,Grass,Aqua,
Azure,Skyblue,Blue,Navy,Violet,Magenta,Pink,Black,White,Grey,
Bisque,Beige,Brown,Chocolate.
Only the first 4 characters of the name need be given, they are case
insensitive.
Example
X cards
for Fe2Ti
X ARRO .333 0.1667 .0833 1.2
X SYMB Fe1 .25 Skyblue Yellow
X SYMB Fe2 .25 Blue Yellow
X SYMB Ti .4 Pink
X CM/A 1
Output:
-
The usual listing file reporting what was read from the
crystal data file and how it was interpreted.
An IRIS inventor ascii format file which can be viewed on a Silicon
graphics workstation. It will have the leaf name of the CDF and
extension .iv.
Running the program:
-
On running the program the user will be asked in the usual way for the
name of the crystal data file and the name for the output file.
Next the numbers of unit cells to be drawn in the directions of the a,b
and c crystallographic axes, are required. They should be given in that
order.
The magnetic structure can then be displayed on a Silicon Graphics
workstation using the SceneViewer application. This may be started
by double clicking the output file icon, or giving the UNIX command
- SceneViewer <output file-name>
Calls:
- ARROW
ASK
ATOM
EQPOS
ERRCHK
ERRMES
GMADD
GMEQ
GMPRD
GMREV
GMSCA
GMSUB
INDFIX
INDFLO
INPUTN
JGMEQ
JGMZER
LABAX
LATGEN
LINES
MAGCNC
MVENTX
NVENTR
ORTHO
PREFIN
RADIAN
RDNUMS
ROTSYM
SCALPR
SETFCM
SPHPOL
UNIVEC
Common blocks used:
-
- /CONSTA/ to use TWOPI
- /IOUNIT/ to use LPT
- /MAGDAT/ to use NMAG MAGAT ANGM SMOD PHIH IPTAB SPIND
- /POSNS/ to use NATOM
- /NSYM/ to use NCENT NOPC NLAT
- /SATELL/ to use PROP
- /SYMDA/ to use TRANS ALAT
- /SYMMAG/ to use OTRSYM MTYP MODUL
*** MVENTR by PJB APRIL 92 ***
Classification:
Magnetic Structure Factors . . . . . . . Main Program
Writes postscript output to plot an arrow in MAG3D
Calls:
- GMEQ
GMSCA
MAKROT
UNIVEC
Called by:
- MVENTR
Common blocks used:
-
- /VFRMTS/ to use all members
- /IOUNIT/ to use IPLO
- /LAYOUT/ to use all members
- /PICDEF/ to use CMPERA APERMB
Classification:
Graphical Output . . . . . . . Utility
Writes postscript output to plot an atom in MAG3D
Calls:
- GMSCA
Called by:
- MVENTR
Common blocks used:
-
- /VFRMTS/ to use all members
- /IOUNIT/ to use IPLO
- /LAYOUT/ to use all members
- /PICDEF/ to use CMPERA
Sets CODE to the hex RGB code for the colour NAME
Description:
-
The colours recognised are: Red,Tomato,Crimson,Orange,Gold,Yellow,
- YelGreen,Green,Grass,Aqua,Azure,Skyblue,
Blue,Navy,Violet,Magenta,Pink,Black,White,
Grey,Bisque,Beige,Brown and Chocolate.
They are identified by the first four characters of their names
Calls:
- NCFIND
UPONE
Called by:
- MVENTX
*** Colors new by PJB May-3-1994 ***
Calls:
- GMADD
GMEQ
GMSCA
MAKROT
UNIVEC
Called by:
- MVENTR
Common blocks used:
-
- /VFRMTS/ to use all members
- /IOUNIT/ to use IPLO
- /LAYOUT/ to use all members
- /PICDEF/ to use CMPERA
Writes inventor output for indexed lines
Calls:
- GMSCA
Called by:
- MVENTR
Common blocks used:
-
- /IOUNIT/ to use IPLO
- /PICDEF/ to use CMPERA
- /VFRMTS/ to use all members
- /LAYOUT/ to use all members
*** LINES new by PJB April 94 ***
Calls:
- GMEQ
SCALPR
UNIVEC
VECPRD
Called by:
- ARROW
LABAX
Common blocks used:
-
- /LAYOUT/ to use all members
To read the
"X" cards
for MVENTR
Calls:
- COLORS
ERRCH2
ERRCHK
ERRMES
FINDCD
HEXCOL
IATOM
RDNUMS
RDREAL
RDWORD
Called by:
- MVENTR
Common blocks used:
-
- /ATNAM/ to use ATNAME
- /IOUNIT/ to use ITO
- /MAGDAT/ to use MAGAT
- /PICDEF/ to use CMPERA APERMB
- /POSNS/ to use NATOM
*** MVENTX new by PJB May 94 ***
Calls:
- ASK
FILNOM
NOPFIL
Called by:
- MVENTR
Common blocks used:
-
- /CARDRC/ to use ICRYDA
- /CONSTA/ to use TWOPI
- /IOUNIT/ to use IPLO
- /LAYOUT/ to use all members
- /SCRACH/ to use all members
- /VFRMTS/ to use all members
Called by:
- MVENTX
Common blocks used:
-
- /VFRMTS/ to use all members
- /LAYOUT/ to use all members
Modulates the phase for exotic magnetic structures
Description:
-
This version for spin-slip
Calls:
- EXOPHS
Called by:
- EXOPHS
Common blocks used:
-
- /CONSTA/ to use PI
P. Jane Brown
e-mail: brown@ill.fr
Institut Laue Langevin,
Grenoble, FRANCE