[gpaw-users] Dipole-layer corrections for PW-mode
Jens Jørgen Mortensen
jensj at fysik.dtu.dk
Fri Nov 11 10:36:06 CET 2016
Latest news:
It is now possible to add a dipole-layer correction to slab-calculations
done in plane-wave mode. Thanks to Georg Kastlunger, this is now in the
development version. See here how to use it:
https://wiki.fysik.dtu.dk/gpaw/tutorials/dipole_correction/dipole.html
At the same time, restarting from a gpw-file has been fixed so that the
dipole-layer will not suddenly disappear and also a new
calc.get_electrostatic_potential() method has been added.
Jens Jørgen
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