I'm trying to use IOp(3/107=0400100000,3/108=0400100000) with wb97 functional in gaussian 09, but I get error termination every time.
nThT2=3 NYI in PrismS.
Error termination via Lnk1e in /home/jahir/g09/l502.exe at Fri Sep 12 18:46:39 2014.
I'm attaching my log file. Please help
Fabrício Marques de Oliveira, Thanks for response, My gaussian version Rev. A.02 does not support these iop's. I need to upgrade my gaussian.
Could it be that you are using too many digits for the IOp values?
From the Gaussian IOp reference manual:
http://www.gaussian.com/g_tech/g_iops/iops2.pdf
IOp(3/107): Omega for short/long range Hartree-Fock exchange.
0 Standard HF exchange
MMMMMNNNNN Short range HF exchange with NNNNN/10000 and long range exchange with MMMMM/10000.
IOp(3/108): Omega for short/long range DFT exchange.
0 Standard DFT exchange or default from functional.
MMMMMNNNNN Short range DFT exchange with NNNNN /10000 and long range DFT exchange with MMMMM/10000.
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