Fix pbc.df data format compatibility issue
Fix pbc.df data format compatibility issue

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