Elastic Constant
Posted: Thu Aug 04, 2022 4:31 am
Hello,
I would like to know why my elastic tensor seems overestimated when i use IBRION=6 and ISIF=3 to run my simulation? Did it for ScPO4
I would like to know why my elastic tensor seems overestimated when i use IBRION=6 and ISIF=3 to run my simulation? Did it for ScPO4