计算层状材料时 考虑 SOC + VDW optB88-vdW functional 不兼容怎么办?大神帮忙
计算层状材料时 考虑 SOC + VDW optB88-vdW functional 时 ,计算时提示vdW-DF calculation: either NGZhalf or NGXhalf needs to be used for compilation;
编译vasp时 不是要去掉NGZhalf or NGXhalf吗? 返回小木虫查看更多
今日热帖
计算层状材料时 考虑 SOC + VDW optB88-vdW functional 时 ,计算时提示vdW-DF calculation: either NGZhalf or NGXhalf needs to be used for compilation;
编译vasp时 不是要去掉NGZhalf or NGXhalf吗? 返回小木虫查看更多
对
只能考虑一个
,
可以参考http://muchong.com/t-9690770-1
14楼的回复