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• W1913364025 abstract "Computation of the effect of finite homogeneous electric fields in periodic systems is described in the context of the projector augmented wave formalism. Generalizing previous norm-conserving implementations, we compute the polarization using the approach of King-Smith and Vanderbilt [Phys. Rev. B 47 (1993) 1651] fully within the projector augmented wave framework, and then minimizing the electric field enthalpy. Applications to simple systems are provided, including both linear and nonlinear field effects, and photoelastic response." @default.
• W1913364025 created "2016-06-24" @default.
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• W1913364025 date "2012-06-01" @default.
• W1913364025 modified "2023-10-01" @default.
• W1913364025 title "Finite homogeneous electric fields in the projector augmented wave formalism: Applications to linear and nonlinear response" @default.
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• W1913364025 doi "https://doi.org/10.1016/j.commatsci.2012.01.028" @default.
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