TABLE OF CONTENTS
4.7. HigherLevelTasks
DESCRIPTION
Higher level tasks (i.e. tasks that glue together several different calculations). These include:
- DIFDEN == difference density
- EOS == equation of state
- FLO == First-Last-Optimization neb.x PATH calculation that is preceded by pw.x relax calculations of the first and the last images
- CALCMOL == fast and convenient molecule-in-a-box calculation