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Option: shear


-shear <n> <A> <s>


This option applies simple shear strain to the system, by tilting an axis by a certain amount along a direction. The following values have to be provided:

For instance, if <n>=Y, <A>=0.1 Å, and <s>=X, then the Y axis is tilted along X by 0.1 Å, producing a shear strain εYX. The X coordinates of atoms are also sheared accordingly.

Considering the height of the supercell along the direction <n> is h, the angle θ by which the direction <n> is tilted is defined as: tan(θ) = <A>/h.

Note that if <n> = <s>, then it results in normal strain rather than shear strain. For normal strain you may consider using the option -deform instead.


By default the system is not sheared.


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