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Nicolas Essing authored
A simple two-atom bcc Fe unit cell, constraint to some non-groundstate configuration. Also uses external fields. Note that the new test case needs two iterations so that the updated constraining field effects the calculation and thus this update is checked.
Nicolas Essing authoredA simple two-atom bcc Fe unit cell, constraint to some non-groundstate configuration. Also uses external fields. Note that the new test case needs two iterations so that the updated constraining field effects the calculation and thus this update is checked.