diff --git a/src/cp2k_debug.F b/src/cp2k_debug.F
index 765305644e..0307f2cc68 100644
--- a/src/cp2k_debug.F
+++ b/src/cp2k_debug.F
@@ -468,7 +468,7 @@ CONTAINS
                WRITE (UNIT=iw, FMT="((T2,A))") &
                   "DEBUG|========================================================================="
                WRITE (UNIT=iw, FMT="(T2,A,T61,E20.12)") 'DIPOLE : CheckSum  =', SUM(dipole_moment)
-               IF (ANY(ABS(err(1:3)) > 0.1_dp)) THEN
+               IF (ANY(ABS(err(1:3)) > maxerr/10._dp)) THEN
                   message = "A mismatch between analytical and numerical dipoles "// &
                             "has been detected. Check the implementation of the "// &
                             "analytical dipole calculation"
diff --git a/src/qs_vxc_atom.F b/src/qs_vxc_atom.F
index b823a10a25..42a8081f64 100644
--- a/src/qs_vxc_atom.F
+++ b/src/qs_vxc_atom.F
@@ -896,8 +896,8 @@ CONTAINS
             ALLOCATE (vxc_h(na, nr, nspins), vxc_s(na, nr, nspins))
             IF (gradient_f) THEN
                ALLOCATE (drho_h(4, na, nr, nspins), drho_s(4, na, nr, nspins), &
-                         drho0_h(3, na, nr, nspins), drho0_s(3, na, nr, nspins), &
-                         drho1_h(3, na, nr, nspins), drho1_s(3, na, nr, nspins))
+                         drho0_h(4, na, nr, nspins), drho0_s(4, na, nr, nspins), &
+                         drho1_h(4, na, nr, nspins), drho1_s(4, na, nr, nspins))
                ALLOCATE (vxg_h(3, na, nr, nspins), vxg_s(3, na, nr, nspins))
             END IF
             IF (tau_f) THEN
diff --git a/tests/QS/regtest-debug-6/TEST_FILES b/tests/QS/regtest-debug-6/TEST_FILES
index 51eed119a1..b13b8f839b 100644
--- a/tests/QS/regtest-debug-6/TEST_FILES
+++ b/tests/QS/regtest-debug-6/TEST_FILES
@@ -8,14 +8,14 @@ h2o_check2.inp                                         82      1e-06
 #
 h2o_dip40.inp                                           0
 h2o_dip41.inp                                           0
-#h2o_dip42.inp                                           0
+h2o_dip42.inp                                           0
 h2o_dip43.inp                                           0
 ch2o_dip44.inp                                          0
-#ch2o_dip45.inp                                          0
+ch2o_dip45.inp                                          0
 h2o_xc_dip40.inp                                        0
 h2o_xc_dip41.inp                                        0
-#h2o_xc_dip42.inp                                        0
+h2o_xc_dip42.inp                                        0
 h2o_xc_dip43.inp                                        0
 ch2o_xc_dip44.inp                                       0
-#ch2o_xc_dip45.inp                                       0
+ch2o_xc_dip45.inp                                       0
 #EOF
diff --git a/tests/QS/regtest-debug-6/ch2o_dip45.inp b/tests/QS/regtest-debug-6/ch2o_dip45.inp
index ec2208598b..46f832e957 100644
--- a/tests/QS/regtest-debug-6/ch2o_dip45.inp
+++ b/tests/QS/regtest-debug-6/ch2o_dip45.inp
@@ -4,7 +4,7 @@
     &TDDFPT
        KERNEL FULL
        &XC
-         &XC_FUNCTIONAL PBE
+         &XC_FUNCTIONAL PADE
          &END XC_FUNCTIONAL
        &END XC
        NSTATES      1
@@ -16,7 +16,7 @@
     BASIS_SET_FILE_NAME BASIS_SET
     POTENTIAL_FILE_NAME GTH_POTENTIALS
     &MGRID
-      CUTOFF 400
+      CUTOFF 250
     &END MGRID
     &QS
       METHOD GAPW
@@ -43,7 +43,7 @@
       EPS_SCF 1.0E-7
     &END SCF
     &XC
-      &XC_FUNCTIONAL PBE
+      &XC_FUNCTIONAL PADE
       &END XC_FUNCTIONAL
     &END XC
     &PRINT
diff --git a/tests/QS/regtest-debug-6/ch2o_xc_dip45.inp b/tests/QS/regtest-debug-6/ch2o_xc_dip45.inp
index 262e42ef58..894f4c2659 100644
--- a/tests/QS/regtest-debug-6/ch2o_xc_dip45.inp
+++ b/tests/QS/regtest-debug-6/ch2o_xc_dip45.inp
@@ -16,7 +16,7 @@
     BASIS_SET_FILE_NAME BASIS_SET
     POTENTIAL_FILE_NAME GTH_POTENTIALS
     &MGRID
-      CUTOFF 400
+      CUTOFF 250
     &END MGRID
     &QS
       METHOD GAPW_XC
diff --git a/tests/QS/regtest-debug-6/h2o_dip42.inp b/tests/QS/regtest-debug-6/h2o_dip42.inp
index 47d05cc73c..c669b52376 100644
--- a/tests/QS/regtest-debug-6/h2o_dip42.inp
+++ b/tests/QS/regtest-debug-6/h2o_dip42.inp
@@ -16,7 +16,8 @@
     BASIS_SET_FILE_NAME BASIS_SET
     POTENTIAL_FILE_NAME GTH_POTENTIALS
     &MGRID
-      CUTOFF 400
+      CUTOFF 250
+      REL_CUTOFF 60
     &END MGRID
     &QS
       METHOD GAPW
@@ -31,7 +32,7 @@
     &SCF
       SCF_GUESS ATOMIC
       &OT
-         PRECONDITIONER FULL_SINGLE_INVERSE
+         PRECONDITIONER FULL_ALL
          MINIMIZER DIIS
          STEPSIZE 0.1
       &END
@@ -43,7 +44,7 @@
       EPS_SCF 1.0E-7
     &END SCF
     &XC
-      &XC_FUNCTIONAL PBE
+      &XC_FUNCTIONAL PBE 
       &END XC_FUNCTIONAL
     &END XC
     &PRINT
@@ -63,9 +64,9 @@
       PERIODIC NONE
     &END
     &COORD
-    O   0.000000    0.000000   -0.065587
-    H   0.000000   -0.757136    0.520545
-    H   0.000000    0.757136    0.520545
+O          0.00000        0.00000        0.11779
+H          0.00000        0.75545       -0.47116
+H          0.00000       -0.75545       -0.47116
     &END COORD
     &TOPOLOGY
      &CENTER_COORDINATES
diff --git a/tests/QS/regtest-debug-6/h2o_xc_dip42.inp b/tests/QS/regtest-debug-6/h2o_xc_dip42.inp
index 47d05cc73c..3d735a0981 100644
--- a/tests/QS/regtest-debug-6/h2o_xc_dip42.inp
+++ b/tests/QS/regtest-debug-6/h2o_xc_dip42.inp
@@ -16,7 +16,7 @@
     BASIS_SET_FILE_NAME BASIS_SET
     POTENTIAL_FILE_NAME GTH_POTENTIALS
     &MGRID
-      CUTOFF 400
+      CUTOFF 250
     &END MGRID
     &QS
       METHOD GAPW
@@ -63,9 +63,9 @@
       PERIODIC NONE
     &END
     &COORD
-    O   0.000000    0.000000   -0.065587
-    H   0.000000   -0.757136    0.520545
-    H   0.000000    0.757136    0.520545
+O          0.00000        0.00000        0.11779
+H          0.00000        0.75545       -0.47116
+H          0.00000       -0.75545       -0.47116
     &END COORD
     &TOPOLOGY
      &CENTER_COORDINATES