Fix to writing pycac files

4 years ago · 96e2242573
parent 724e573287
commit 96e2242573
1 changed files with 2 additions and 2 deletions
--- a/src/io.f90
+++ b/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