用TURBOMOLE优化激发态结构一直报错

DUNING

用TURBOMOLE优化激发态结构，优化几圈后报错 ERROR: your energy calculation did not converge !!        Possible reasons:        - not enough iterations: increase the max. number of SCF iterations          i.e. $scfiterlimit          and check your occupation.        - because of wrong input like starting an RI calculation          without having switched on RI        - missing input (basis set, auxiliary basis set, MOs, ..)     Check job.last and job.<number> for more detailed error output 然后我在control文件中 将$scfiterlimit     设为  300 再次提交后，SCF迭代收敛，但是又报错 Reference state is non-real unstable egrad ended abnormally egrad ended abnormally 现在应该怎么办呢？