标题: VASP算出来的DOS，用p4vasp分元素处理之后加起来和total不相等 [打印本页] 作者Author: 747148432wsy 时间: 2024-6-1 23:01 标题: VASP算出来的DOS，用p4vasp分元素处理之后加起来和total不相等 想问一下大家，为什么我用VASP算出来的DOS，用p4vasp分元素处理之后加起来和total不相等 作者Author: lcq845402558 时间: 2024-6-3 11:14
Please note that the charges that are obtained by integrating the charge density in the volumes of the spheres (with r=RWIGS) around each atom. Any space in the cell which is NOT covered by these spheres is not accounted for.作者Author: 747148432wsy 时间: 2024-6-3 11:18
lcq845402558 发表于 2024-6-3 11:14
Please note that the charges that are obtained by integrating the charge density in the volumes of t ...