MATOM

MATOM   Label    ChemSymb   x   y   z    [plot options]


This is similar to ATOM keyword. There's no limit for the number of MATOM lines.


The additional options are given for plotting purposes. At present they are:


SCALE   value

Re-scale the magnetic moments

GROUP

Fourier coefficients corresponding to different propagation vectors have to be grouped to calculate the total magnetic moment.

ENVELOP attributes

For case of a single propagation vector (k,-k) and an atom having imaginary components on the Fourier coefficients. The keyword and attributes adopt the form:


ENVELOP ENVELOPCOL 0 1 0 0.50 EDGE EDGECOL 1 0 0 1 RADIUS 2.00



Copyleft © 2010, FullProf Suite Team