Comparing the performance of LDA and GGA in AlAs
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https://data.mendeley.com/datasets/7tvtbgjpdm
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资源简介：
Data for reproducing the results of the study "Comparing the performance of LDA and GGA functionals in predicting the lattice thermal conductivity of semiconductor materials: the case of AlAs".
They are divided in PBE and LDA, according to the exchange-correlation functional that was used to obtain them.
创建时间：
2018-07-30
