I tried to optimize the first excited singlet state in PCM by using NoneqGrad keyword, But NoneqGrad keyword is not working.
Input as follows:
But ,I received a error message in output as :
Checking the input file for inconsistencies…
An unrecognized keyword “NoneqGrad” was found in the $pcm input section
The Q-Chem input file has failed to pass inspection
I couldn’t figure out then how to use this keyword …
Thanks in advance!