Up: OPTIM User Guide
Input is keyword driven.
The last keyword will usually be POINTS, after which
the starting geometry is specified, one atom per line, by the atomic symbol (case
insensitive) and the corresponding x, y and z coordinates. For potentials that
are coded within OPTIM there will always be an assumed unit system.
OPTIM usually determines the potential to be used from the atomic
symbol of the last atom, and various symbols have evolved for different systems, as
described in §4. Free format may be used within each line. Blank lines are ignored,
but there must not be any blank lines after the POINTS keyword.
The maximum line length permitted has now been increased to 132 characters.
The odata file