"VERY BAD NEWS!"
Posted: Sun Dec 03, 2006 1:59 am
Hi,everyone
After relax ,copy CONTCAR to POSCAR,and do static calculation,then there is a
error:
VERY BAD NEWS! internal error in subroutine SGRCON:
Found some non-integer element in rotation matrix 2
What's this problem and how to solve?
Thanks for your advice!
After relax ,copy CONTCAR to POSCAR,and do static calculation,then there is a
error:
VERY BAD NEWS! internal error in subroutine SGRCON:
Found some non-integer element in rotation matrix 2
What's this problem and how to solve?
Thanks for your advice!