Hello
I am using b97-d level of theory and 6-31G* as external basis set for Se systems. Upto the total no. of atoms equal to 80, it was working fine but when the number of atoms increased to 96, it was showing the following error while defining:
dimension too small
<makbas> : ncons = 55 > ndi11 = 52
MODTRACE: no modules on stack
fatal error in dimchk
define ended abnormally
Please, help me out.
Thanking You,
Juhi.