How to apply hydrostatic pressure to monolayer CrI3,why does OUTCAR report an error after adding PSTRESS?

Applying the hydrostatic pressure PSTRESS to the two-dimensional monolayer CrI3, the out file reported an error as follows. What is the reason? LAPACK: Routine ZPOTRF failed! 70...

19 April 2023 5,412 3 View