Improve HF initial guess for systems with ecp
Improve HF initial guess for systems with ecp

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