TABLE OF CONTENTS
::pwtk::flo
NAME
::pwtk::flo
DESCRIPTION
FLO == first_last_opt
Namespace for the FLO calculation: this is a path-type transition state search (i.e. neb or smd), where the first and last images are first optimized by pw.x relax calculations and only then the neb.x path calculation is performed using the optimized coordinates for the first & last images.