jv_optoelectronic.json
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资源简介：
We perform high-throughput density functional theory (DFT) calculation of optoelectronic properties (electronic bandgap and frequency dependent dielectric function) using OptB88vDW (OPT) and Tran-Blaha modified Becke Johnson potential (MBJ) potential. This data is distributed publicly through JARVIS-DFT database. We used this data to evaluate the differences between these two formalisms and quantify their accuracy comparing to experimental data whenever applicable. The data is available at our website: http://www.ctcms.nist.gov/~knc6/JVASP.html . <br>
创建时间：
2018-01-11
