vasprun:vasp计算的快速分析-源码

上传者: 42099633 | 上传时间: 2021-08-23 14:27:44 | 文件大小: 3.46MB | 文件类型: ZIP
vasprun-xml仅用于从vasprun.xml进行vasp计算的快速分析。 它具有以下功能: 带隙计算 剂量图(总剂量/轨道部分剂量/原子部分剂量) 带结构图(具有彩色图增强功能) 车内/波车/波车的产生 力分析仪 KS轨道特征值分析仪 动力矩阵(添加) 弹性常数(要添加) 介电常数(相加) 完整文档已移至

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