文件名称:POTCAR O
介绍说明－－下载内容均来自于网络，请自行研究使用
VASP计算POTCAR赝势文件 主要用于分子结构计算模拟(POTCAR of oxygen The projector augmented wave (PAW) potentials was employed and the energy cutoff of 400 eV was used. The generalized gradient approximation (GGA) with the Perdew-Burke-Ernzerhof (PBE) function was adopted for the exchange-correlation potentials)
(系统自动生成,下载前可以参看下载内容)
下载文件列表
| 文件名 | 大小 | 更新时间 |
|---|---|---|
| POTCAR O | 141537 | 2018-03-02 |