SUBL
This keyword is an alternative to ATOM for the case the numbering of sublattices is to be controlled by the user.
This keyword must be followed in the same line by the label of the atom and the number of sublattices (NSUB) corresponding to the site.
The coordinates of the NSUB atoms must be given in the following NSUB lines starting at least from the 5th column. An arbitrary label may be put in the first 4 columns. The program will use the common label of the atoms adding and underscore "_" followed by the number of the sublattice.
For instance, if in the input file there are the lines
......
SUBL Tb 4
At 0.00000 0.00000 0.50000
At 0.25000 0.75000 0.75000
At 0.50000 0.00000 0.00000
At 0.25000 0.25000 0.25000
.......
the program will generate the labels Tb_1, Tb_2, Tb_3 and Tb_4 for numbering the atoms.
FullProf Suite 2010