My job is to optimize the geometry of a bromobenzene and an acetone at MP2/cc-pVTZ level, the structure has already been optimized at low level, and a fatal error occurred in my output file:
Q-Chem fatal error occurred in module 0, line 459:
MaxKL too small for Path 2. Use more memory.
Q-Chem fatal error occurred in module forms2/ShlPairs.C, line 54:
In ~ShlPairs: s2Ints != 0.
and I have tried to add the keywords
MEM_STATIC = 480
MEM_TOTAL = 8000
for larger memory, but the error still occurred.
Does anyone can give me some suggesttions?
Thanks a lot!