Page History

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• To speed up the poisson solver, use something like gpts=h2gpts(h=0.18, atoms.get_cell(), idiv=8) to get a nicely divisible-by-large-power-of-2 grid. This helps the "multi grid" poisson solver.
• experiment with Fermi smearing to help improve convergence
• experiment with number of empty bands to help improve convergence
• Wiki Markupbe sure to specify nbands, otherwise GPAW will add "plenty" of bands which is very expensive in FD calculations. nbands=6*\[number of atoms\] should be more than enough.

GPAW Planewave Mode

Jens Jurgen has a post here that discusses how to select plane wave mode in your script.

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