ATOM: Bugfix semi-analytical exchange potential

cp2k · Dec 16, 2019 · e13e3ec · e13e3ec
1 parent d3394a2
commit e13e3ec
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/atom_utils.F b/src/atom_utils.F
@@ -1697,7 +1697,7 @@ SUBROUTINE potential_coulomb_analytic(erfa, a, b, ll, nu, rad)
          CASE (1)
             erfa(:) = erfa(:) - expa(:)*(12._dp*z(:) + 30._dp/z(:))
          CASE (3)
-            erfa(:) = erfa(:) - expa(:)*(56._dp*z(:) + 140._dp/z(:) + 210._dp*z(:)**3)
+            erfa(:) = erfa(:) - expa(:)*(56._dp*z(:) + 140._dp/z(:) + 210._dp/z(:)**3)
          END SELECT
       CASE (4)
          SELECT CASE (nu)