I am trying to do frequency calculation after optimization calculations using mixed basis set for lanthanides SDD and 6-311++G(d,p) for other atoms with %mem=2GB.

The error shows:

Not enough memory for any path: MxKBra= 16 MxKKet= 16 Memory= 20007789. After MaxDer, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFTFFFFFFFFFFFFFFFFFFFF After MemPth, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF After MxKxxx, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF After UseAlp /DoOS, Avail=FFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFFF

Increased the memory but the same error keeps on appearing.

More Anindita Pati's questions See All
Similar questions and discussions