MONTECARLO

Perform Monte Carlo simulation

MAX=

Indicates the number of steps after "="

SEED=

indicates value of the SEED if Monte Carlo simulation is intended

NDBG=

Type NDBG=ON to print a lot of MC information

WALL=

Refuses any displacement leading to structure not entering in a sphere of radius specified after '='. Defaults is 1000 a0. It only makes sense for a finite size system.

BASINHOP

Perform basin hopping simulation