JDFTx  1.2.1
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net-drift-removal

Syntax:

net-drift-removal <scheme>=AvgMomentum

Description:

Deal with the net momentum per unit cell when initializing ionic dynamics. Select <scheme>=AvgMomentum|DriftVelocity|None DriftVelocity removes the net drift velocity of the center of mass from each atom in the unit cell, AvgMomentum removes the average net momentum per atom from each atom in the unit cell, None does not remove the momentum from the unit cell. CAUTION: None may cause mean positions of your atoms to drift over time!

Properties:

Requires:     (None)

Forbids:     (None)

Allow multiple:    no

Default:     (None)

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