atomate2.vasp.jobs.ferroelectricΒΆ
Job used in the Ferroelectric wflow.
Functions
Generate the interpolations jobs and add them to the main ferroelectric flow. |
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Extract from lcalcpol job all the relevant output to compute the polarization. |
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Interpolate linearly the polar and the nonpolar structures with nimages structures. |
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Recover the same branch polarization and the spontaneous polarization. |
Classes
bool(x) -> bool |