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ZStar: A unified toolkit for polarization, Born effective charges, dielectric and piezoelectric responses, and infrared and Raman spectra

Zhu, Xudong et al.
arXiv (All) · Papers
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computational-physicsmaterials-science
Born effective charge (BEC) tensors link atomic displacements to polarization, thereby connecting lattice vibrations with dielectric response and infrared activity. We present ZStar, an open-source Python toolkit that automates calculations of polarization, BEC, phonons, static and frequency-depende
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