上传者: mrhpwu
|
上传时间: 2022-01-18 20:12:12
|
文件大小: 2.95MB
|
文件类型: -
vasp 说明书The precision of the forces was increased from 4 to 7-8 significant digits. In the previous version, 1st order finite differences were used to calculate certain components of the forces. In the new version, central differences are used in all places.