Constrained nudged elastic band calculation of the Peierls barrier with atomic relaxations

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Groger, R; Vitek, V, 2012: Constrained nudged elastic band calculation of the Peierls barrier with atomic relaxations. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 20(3), doi: 10.1088/0965-0393/20/3/035019

Research Groups:

Multiscale Modelling and Measurements of Physical Properties

CEITEC authors:

Roman Gröger, Ph.D.