Latest attempts to get the lammpscac data format working

src/mode_create.f90

@@ -95,9 +95,9 @@ module mode_create
                  do inod = 1, 8
                     do i = 1,3
                         if(is_equal(cubic_cell(i, inod),0.0_dp)) then 
-                            adjustVar(i,inod) = -0.5_dp*esize
+                            adjustVar(i,inod) = -0.5_dp
                         else 
-                            adjustVar(i, inod) = 0.5_dp*esize
+                            adjustVar(i, inod) = 0.5_dp
                         end if
                     end do
                 end do
@@ -113,7 +113,7 @@ module mode_create
             do inod = 1, max_ng_node
                 do ibasis = 1, basisnum(1)
                     r_node_temp(:,ibasis,inod) = lattice_parameter*matmul(orient, &
-                                                 matmul(fcc_mat, esize*(cubic_cell(:,inod)+adjustVar(:,inod)))) &
+                                                 matmul(fcc_mat, (esize+1)*cubic_cell(:,inod)+adjustVar(:,inod))) &
                                                         + basis_pos(:,ibasis,1)
                 end do
             end do