Special-coordinates-FAPI-MAPBr-mix.tar.bz2
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http://datos.uchile.cl/file.xhtml?persistentId=doi:10.34691/FK2/PXNHBG/OZJVAI
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资源简介：
Coordinates of special configurations that have HOMO and LUMO most close to the the VBM and CBM of the average DOS. These confgurations were used to compute the DOS and dielectric functions. Formats: *.vasp -> VASP POSCAR *.vesta : File for VESTA viewer. An updated version of this file is freely available as Supplementary Information at https://doi.org/10.1039/D1TA10860C
提供机构：
Repositorio de datos de investigación de la Universidad de Chile
创建时间：
2021-11-19
