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Berry phase calculations

Evaluation of the usual Berry phase expression for the electronic polarization of an insulating groundstate system [57], as modified for the application of USPP's and PAW datasets [58], was implemented in the VASP code by Martijn Marsman.
We would greatly appreciate, if you would include a statement, acknowledging Martijn Marsman, in any publication based on this part of VASP.



Subsections

Georg Kresse
2007-03-01