Fix to writing pycac files

src/io.f90

@@ -491,7 +491,7 @@ module io
                         exit
                     endif
                 end do
-                write(11, '(4i16)') tag_ele(i), etype, 1, basis_type(1,lat_ele(i))
+                write(11, '(4i16)') i, etype, 1, basis_type(1,lat_ele(i))
                 do inod = 1, ng_node(lat_ele(i))
                     do ibasis = 1, basisnum(lat_ele(i))
                         ip = ip + 1
@@ -505,7 +505,7 @@ module io
         if(atom_num /= 0) then 
             write(11,14)
             do i = 1, atom_num
-                write(11, '(3i16, 3f23.15)') tag_atom(i), 1, type_atom(i), r_atom(:,i)
+                write(11, '(3i16, 3f23.15)') i, 1, type_atom(i), r_atom(:,i)
             end do
         end if