Updated the initial guess for the localization procedure augmented Hessian NR computation
Updated the initial guess for the localization procedure augmented Hessian NR computation

gkc1000/pyscf,sunqm/pyscf,gkc1000/pyscf,sunqm/pyscf,gkc1000/pyscf,gkc1000/pyscf,gkc1000/pyscf,sunqm/pyscf,sunqm/pyscf