10楼: Originally posted by Mrbarak at 2020-07-05 14:59:06
今天也遇见了这个问题，仔细看了下CASTEP的官方文档，（https://www.tcm.phy.cam.ac.uk/castep/documentation/WebHelp/content/modules/castep/tskcasteprunstandalone.htm#generation）程序运行的命令： RunCASTEP ...