Hi,
I am not getting convergence in gaussian09 for Cun (n=31-55) atoms.
I tried many things like scf=yqc, scf=xqc, scf=qc, maxcycle=512, Ultrafine grid. I also optimized first by semi-empirical method and then optimized by DFT using Guess=Read but it failed. I also kept atoms frozen but energy convergence failed.
Can anyone please suggest anything ??
Thanks