[gpaw-users] MGGA without a PBE calculation first

Jens Jørgen Mortensen jensj at fysik.dtu.dk
Wed Feb 22 09:33:47 CET 2012


Hi!

It would be nice if MGGA calculations didn't have to start from a PBE 
calculation.  I think we could get a MGGA calculation started from the 
density alone if we use an approximate kinetic energy density calculated 
from the density.  Anybody know the correct formula?

Jens Jørgen



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