Science:测试了各种固体电子结构计算软件的计算精度和可重复性,对大家选取软件和计算参数有参考性(第一性原理)
=RESEARCH ARTICLE SUMMARY DFT METHODS
Reproducibility in density functional
theory calculations of solids
Science:测试了各种固体电子结构计算软件的计算精度和可重复性,对大家选取软件和计算参数有参考性(第一性原理)=RESEARCH ARTICLE SUMMARY DFT METHODS
Reproducibility in density functional
theory calculations of solids