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GPAW Convergence Behavior

A talk given by Ansgar Schaefer studying convergence behaviour for rutiles is here (pdf).

Suggestions for helping GPAW convergence are here.

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

Other convergence experience

System

Who

Action

Graphene with vacancy

Felix/JensH

Increase Fermi Temp from 0.1 to 0.2

Using ASE Interactively

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

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