arXiv (OAI Expanded)
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ZStar: An automated toolkit for polarization, Born effective charges, dielectric response, and infrared and Raman spectra calculations
Born effective charges (BEC) link atomic displacements to polarization, connecting lattice vibrations to dielectric response and infrared activity. We present ZStar, an open-source Python toolkit that automates calculations of polarization, BEC, phonons, static and frequency-dependent dielectric res
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