problem converging molecule in doublet state

[Ross, Sun]

Hi Garold,

Firstly, MAX_SCF 20 in your input file. I think 20 steps can not
guarantee any system to converge at such small value.

Secondly,  you can add XC_SMOOTH in the XC domain, which may lead to
the convergence faster.
      &XC_GRID
         XC_SMOOTH_RHO NN10
         XC_DERIV SPLINE2_SMOOTH
      &END XC_GRID