I am doing surface hopping dynamics to study intersystem crossing. Our program has interface with turbomole. Our trajectories are crashing in early few femtosconds with following error in grad.out file:
Reference state is unstable
escf ended abnormally
Reference state is nonreal and unstable
escf ended abnormally
Even for static calculations this error occurs.
Can any one help me in this regard.
I am attaching grad.out in following output
Best Regards,
Wasif
