[gpaw-users] Changes in the new PAW setups bundle of 26/10 ("gpaw-setups-0.9.9672")
Erik R. McNellis
mcnellis at mpip-mainz.mpg.de
Fri Nov 23 09:46:08 CET 2012
Dear All,
I only just now noticed that a new setups bundle was released recently.
I have looked for a description of precisely how the new setups were
generated on the GPAW website, but found nothing.
I would therefore be very grateful for a short description of the
changes made in the new version (0.9.9672) compared to the previous
version (0.8.7929), in particular with respect to third row and heavier
elements.
Thank you very much,
Erik McNellis
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Dr. Erik R. McNellis
Max Planck Institute for Polymer Research
Department of Molecular Spectroscopy
Ackermannweg 10, 55128 Mainz (Germany)
Phone +49 (0) 61 31 37 94 04
Fax +49 (0) 61 31 37 93 60
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