[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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