XC: Fix undefined array access (#1294)

cp2k · Jan 10, 2021 · dc262fe · dc262fe
1 parent 195e2a7
commit dc262fe
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/src/xc/xc_perdew_wang.F b/src/xc/xc_perdew_wang.F
@@ -232,7 +232,7 @@ SUBROUTINE perdew_wang_lda_calc(rho, e_0, e_rho, e_rho_rho, e_rho_rho_rho, npoin
 !! order_ is positive as it must be in this case:
 !! ec(:,2) needs ed(:,1) for example
             CALL pw_lda_ed_loc(rho(k), ed, abs_order)
-            ed = scale*ed
+            ed(0:abs_order) = scale*ed(0:abs_order)
 
             IF (order >= 0) THEN
                e_0(k) = e_0(k) + rho(k)*ed(0)
@@ -395,8 +395,10 @@ SUBROUTINE perdew_wang_lsd_calc(rhoa, rhob, e_0, ea, eb, eaa, eab, ebb, eaaa, ea
          rho = rhoa(k) + rhob(k)
          IF (rho > eps_rho) THEN
 
+            ed = 0.0_dp
             CALL pw_lsd_ed_loc(rhoa(k), rhob(k), ed, abs_order)
             ed = ed*scale
+
             IF (order >= 0) THEN
                e_0(k) = e_0(k) + rho*ed(0)
             END IF