Dear all,
I have problems with fixing the input file to calculate either a single point energy or to optimize a dimer system using def2qzvp. The system was previously optimized at B97D/dgdzvp.
I have tried different input systems but I have output messages for pseudopotential parameters for C, H and O atoms: No pseudopotential on this center.
The input file is #p opt b97d/gen Pseud=Read test
atoms coordinates
C H O I
def2qzvp
***************
Thank you