CCL:G: Converges using HF and hybrid DFT, but fails to converge using pure DFT



 Sent to CCL by: "Dr. Vitaly Chaban" [vvchaban__gmail.com]
 Dear All -
 The wavefunction for the system consisting of 2nd and 3rd row elements
 converges (at least to 10^(-7) Ha) using HF and hybrid DFT with modest
 basis set, but it does not converge appropriately (converges only to
 10^(-4) Ha) using pure DFT functionals. The geometry is close to
 minimum, the cheap solutions, such as VShift, NoVarAcc, Guess=Read do
 not work.
 Which keyword(s) in Gaussian'09 would you suggest to enhance the SCF
 convergence in this case?
 Dr. Vitaly V. Chaban