[gpaw-users] PW91 functional
jensj at fysik.dtu.dk
jensj at fysik.dtu.dk
Fri Apr 23 08:06:20 CEST 2010
> Funny, when I try that I only get a difference of 0.65 eV
The atomic program uses Hartree units, so that should be 0.65 Hartree - I
hope.
JJ
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