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.
ya. Its correct SK. Version A 02 is not responding to these IOp's. better you can try in version C.
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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