GPAW Convergence Behavior

A talk given by Ansgar Schaefer studying convergence behaviour in GPAW is here (pdf).

Suggestions for helping GPAW convergence are here.

A discussion and suggestions for converging some simple systems can be found here.

Using ASE Interactively

Setup environment variables as follows (assumes csh/tcsh):

source /afs/slac/g/suncat/gpaw/setupenv