TABLE OF CONTENTS

FLO

DESCRIPTION

FLO is a utility for a composite NEB calculations, whete the first and the last image are first relaxed with a pw.x. Then the so-relaxed coordinates are used in the NEB calculation.

The FLO acronym stands for First-Last-Optimized.

The utility is run via ::pwtk::flo::run command (or the runFLO shortcut).

COMMANDS