diff --git a/tests/EP/TEST_FILES b/tests/EP/TEST_FILES
index 24e39d3aac..b1d0eacc2e 100644
--- a/tests/EP/TEST_FILES
+++ b/tests/EP/TEST_FILES
@@ -3,6 +3,6 @@
 # e.g. 0 means do not compare anything, running is enough
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
-Ar-ep.inp        1
-Ar2.inp          1
+Ar-ep.inp                         1     5e-13
+Ar2.inp                           1     6e-13
 3H2O-ep.inp      2
diff --git a/tests/Fist/regtest-1-3/TEST_FILES b/tests/Fist/regtest-1-3/TEST_FILES
index c50918d217..22d87b9f72 100644
--- a/tests/Fist/regtest-1-3/TEST_FILES
+++ b/tests/Fist/regtest-1-3/TEST_FILES
@@ -1,7 +1,7 @@
 # complex torsion potential
 TNF2.inp                  7
 # isolated system 
-H+.inp                   11 
+H+.inp                           11     3e-11
 ef.inp                   11
 h2o-32-g3x3-mult.inp      2
 # multipoles
diff --git a/tests/Fist/regtest-4/TEST_FILES b/tests/Fist/regtest-4/TEST_FILES
index aae9caf756..f785959e86 100644
--- a/tests/Fist/regtest-4/TEST_FILES
+++ b/tests/Fist/regtest-4/TEST_FILES
@@ -24,7 +24,7 @@ ethene-restraint2.inp     2             5e-11
 ethene-no-restraint.inp   2
 ethene-ck-restraint.inp   2
 #restraint 3x3
-H2O-restraint_3x3.inp     2
+H2O-restraint_3x3.inp             2     3e-12
 #restraint 4x6
 nh3-restraint4x6.inp      2
 #restraint fixed_atoms
diff --git a/tests/Pimd/TEST_FILES b/tests/Pimd/TEST_FILES
index 36598c5c15..2a5a5f54f4 100644
--- a/tests/Pimd/TEST_FILES
+++ b/tests/Pimd/TEST_FILES
@@ -8,7 +8,7 @@ h2o_pint_qs_nose.inp                   9
 h2o_pint_qs_nose_restart.inp      9     1e-09
 he32_only.inp                         40
 he32_only_restart.inp                 40
-water-in-helium.inp               9     3e-14
+water-in-helium.inp               9     7e-14
 water-in-helium-restart.inp       9     6e-14
 w512_pint_nose.inp                9     8e-14
 w512_pint_gle.inp                 9     3e-13
diff --git a/tests/QMMM/QS/regtest-1/TEST_FILES b/tests/QMMM/QS/regtest-1/TEST_FILES
index 38e5ef4d63..570cc19a68 100644
--- a/tests/QMMM/QS/regtest-1/TEST_FILES
+++ b/tests/QMMM/QS/regtest-1/TEST_FILES
@@ -6,10 +6,10 @@
 # QM/MM
 Ar-qmmm.inp                       1     2e-13
 H2O-qmmm-gauss-1.inp  1
-H2O-qmmm-gauss-2.inp  1
+H2O-qmmm-gauss-2.inp              1     3e-14
 H2O-qmmm-gauss-3.inp  1
 H2O-qmmm-gauss-4.inp  7
-H2O-qmmm-gauss-5.inp  1
+H2O-qmmm-gauss-5.inp              1     3e-14
 H2O-qmmm-gauss-6.inp  1
 H2O-qmmm-gauss-7.inp  1
 H2O-qmmm-gauss-8.inp  1
@@ -17,7 +17,7 @@ H2O-qmmm-gauss-9.inp  1
 H2O-qmmm-gauss-10.inp  1
 H2O-qmmm-gauss-11.inp  7
 H2O-qmmm-gauss-12.inp  1
-H2O-qmmm-gauss-13.inp  1
+H2O-qmmm-gauss-13.inp             1     2e-13
 H2O-qmmm-none-1.inp   7
 H2O-qmmm-gauss-14.inp  7
 H2O-qmmm-gauss-15.inp  7
diff --git a/tests/QMMM/QS/regtest-2-erf/TEST_FILES b/tests/QMMM/QS/regtest-2-erf/TEST_FILES
index a324c03364..c6b34bd721 100644
--- a/tests/QMMM/QS/regtest-2-erf/TEST_FILES
+++ b/tests/QMMM/QS/regtest-2-erf/TEST_FILES
@@ -4,20 +4,20 @@
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
 #GEEP library
-H2O-qmmm-gauss-14-geep-2.inp   1
+H2O-qmmm-gauss-14-geep-2.inp      1     2e-14
 H2O-qmmm-gauss-14-geep-3.inp   1
-H2O-qmmm-gauss-14-geep-4.inp   1
-H2O-qmmm-gauss-14-geep-5.inp   1
-H2O-qmmm-gauss-14-geep-6.inp   1
-H2O-qmmm-gauss-14-geep-7.inp   1
+H2O-qmmm-gauss-14-geep-4.inp      1     4e-14
+H2O-qmmm-gauss-14-geep-5.inp      1     3e-14
+H2O-qmmm-gauss-14-geep-6.inp      1     1e-13
+H2O-qmmm-gauss-14-geep-7.inp      1     2e-14
 H2O-qmmm-gauss-14-geep-8.inp   1
-H2O-qmmm-gauss-14-geep-9.inp   1
-H2O-qmmm-gauss-14-geep-10.inp  1
-H2O-qmmm-gauss-14-geep-11.inp  1
-H2O-qmmm-gauss-14-geep-12.inp  1
-H2O-qmmm-gauss-14-geep-13.inp  1
-H2O-qmmm-gauss-14-geep-14.inp  1
-H2O-qmmm-gauss-14-geep-15.inp  1
+H2O-qmmm-gauss-14-geep-9.inp      1     9e-14
+H2O-qmmm-gauss-14-geep-10.inp     1     3e-14
+H2O-qmmm-gauss-14-geep-11.inp     1     3e-14
+H2O-qmmm-gauss-14-geep-12.inp     1     5e-14
+H2O-qmmm-gauss-14-geep-13.inp     1     6e-14
+H2O-qmmm-gauss-14-geep-14.inp     1     3e-14
+H2O-qmmm-gauss-14-geep-15.inp     1     6e-14
 H2O-qmmm-gauss-14-geep-16.inp  1
 H2O-qmmm-gauss-14-geep-17.inp  1
-H2O-qmmm-gauss-14-geep-18.inp  1
+H2O-qmmm-gauss-14-geep-18.inp     1     3e-14
diff --git a/tests/QMMM/QS/regtest-2-swave/TEST_FILES b/tests/QMMM/QS/regtest-2-swave/TEST_FILES
index ac6931d73a..648bd586ca 100644
--- a/tests/QMMM/QS/regtest-2-swave/TEST_FILES
+++ b/tests/QMMM/QS/regtest-2-swave/TEST_FILES
@@ -4,20 +4,20 @@
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
 #GEEP library for S-WAVE expansion
-H2O-qmmm-gauss-14-geep-2.inp   1
-H2O-qmmm-gauss-14-geep-3.inp   1
-H2O-qmmm-gauss-14-geep-4.inp   1
-H2O-qmmm-gauss-14-geep-5.inp   1
+H2O-qmmm-gauss-14-geep-2.inp      1     2e-14
+H2O-qmmm-gauss-14-geep-3.inp      1     2e-14
+H2O-qmmm-gauss-14-geep-4.inp      1     4e-14
+H2O-qmmm-gauss-14-geep-5.inp      1     3e-14
 H2O-qmmm-gauss-14-geep-6.inp   1
-H2O-qmmm-gauss-14-geep-7.inp   1
-H2O-qmmm-gauss-14-geep-8.inp   1
+H2O-qmmm-gauss-14-geep-7.inp      1     2e-14
+H2O-qmmm-gauss-14-geep-8.inp      1     1e-13
 H2O-qmmm-gauss-14-geep-9.inp   1
 H2O-qmmm-gauss-14-geep-10.inp  1
-H2O-qmmm-gauss-14-geep-11.inp  1
+H2O-qmmm-gauss-14-geep-11.inp     1     3e-14
 H2O-qmmm-gauss-14-geep-12.inp  1
-H2O-qmmm-gauss-14-geep-13.inp  1
-H2O-qmmm-gauss-14-geep-14.inp  1
+H2O-qmmm-gauss-14-geep-13.inp     1     6e-14
+H2O-qmmm-gauss-14-geep-14.inp     1     3e-14
 H2O-qmmm-gauss-14-geep-15.inp  1
-H2O-qmmm-gauss-14-geep-16.inp  1
-H2O-qmmm-gauss-14-geep-17.inp  1
-H2O-qmmm-gauss-14-geep-18.inp  1
+H2O-qmmm-gauss-14-geep-16.inp     1     5e-14
+H2O-qmmm-gauss-14-geep-17.inp     1     9e-14
+H2O-qmmm-gauss-14-geep-18.inp     1     3e-14
diff --git a/tests/QMMM/QS/regtest-3/TEST_FILES b/tests/QMMM/QS/regtest-3/TEST_FILES
index de7be7fc02..2ef2cbd260 100644
--- a/tests/QMMM/QS/regtest-3/TEST_FILES
+++ b/tests/QMMM/QS/regtest-3/TEST_FILES
@@ -16,14 +16,14 @@ C4H10-qmmm-gauss-9.inp 7
 C4H10-qmmm-gauss-10.inp 7
 C4H10-qmmm-gauss-11.inp 7
 C11H24-qmmm-gauss-0.inp 7
-sio2-qmmm-gauss-1.inp 1
-sio2-qmmm-gauss-2.inp 1
-sio2-qmmm-gauss-3.inp 1
+sio2-qmmm-gauss-1.inp             1     7e-14
+sio2-qmmm-gauss-2.inp             1     2e-14
+sio2-qmmm-gauss-3.inp             1     3e-14
 constr.inp                        7     7e-12
 # different parallel scheme
 C4H10-qmmm-gauss-12.inp 1 1E-13
 # hbonds selective constraints on QM and MM subsystems
-constr_hb_mm.inp  1
-constr_hb_qm.inp  1
+constr_hb_mm.inp                  1     7e-14
+constr_hb_qm.inp                  1     8e-14
 #constraints
 water_3_dist.inp               2
diff --git a/tests/QMMM/QS/regtest-4/TEST_FILES b/tests/QMMM/QS/regtest-4/TEST_FILES
index 5cb7230869..78bd2e1c7e 100644
--- a/tests/QMMM/QS/regtest-4/TEST_FILES
+++ b/tests/QMMM/QS/regtest-4/TEST_FILES
@@ -4,13 +4,13 @@
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
 #Periodic calculation
-crys_per_qmmm.inp       1
+crys_per_qmmm.inp                 1     7e-12
 crys_per_qmmm_anal.inp            1     4e-11
 crys_per_qmmm_spln.inp            1     3e-11
 # none calculation + periodic -> switch off periodic
-crys_per_qmmm_none.inp  1
+crys_per_qmmm_none.inp            1     7e-12
 # check zero of the potential for charged QM systems
 acn-qmmm-re.inp                   1     1e-12
 # check a qm/mm nasty topology 
 acn-conn-1.inp                    1     2e-10
-wat_nacl.inp           11
+wat_nacl.inp                     11     8e-14
diff --git a/tests/QMMM/QS/regtest-gapw/TEST_FILES b/tests/QMMM/QS/regtest-gapw/TEST_FILES
index 7388ac15c4..8c0e3e5ba3 100644
--- a/tests/QMMM/QS/regtest-gapw/TEST_FILES
+++ b/tests/QMMM/QS/regtest-gapw/TEST_FILES
@@ -6,5 +6,5 @@
 # QM/MM
 C11H24-qmmmgapwall-gauss-0.inp     1
 C11H24-qmmmgapw-gauss-0.inp       7     7e-12
-H2O-qmmm-gapw-fdbg.inp             1
+H2O-qmmm-gapw-fdbg.inp            1     4e-14
 H2O-qmmm-hfx.inp                   2
diff --git a/tests/QMMM/QS/regtest-image/TEST_FILES b/tests/QMMM/QS/regtest-image/TEST_FILES
index f58e0452f2..6ac6565dc9 100644
--- a/tests/QMMM/QS/regtest-image/TEST_FILES
+++ b/tests/QMMM/QS/regtest-image/TEST_FILES
@@ -4,6 +4,6 @@
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
 # QM/MM
-Cu-H2-qmmm-image-1.inp 1
-Cu-H2-qmmm-image-2.inp 1
-Cu-H2-qmmm-image-3.inp 1
+Cu-H2-qmmm-image-1.inp            1     4e-12
+Cu-H2-qmmm-image-2.inp            1     3e-12
+Cu-H2-qmmm-image-3.inp            1     4e-12
diff --git a/tests/QS/TEST_FILES b/tests/QS/TEST_FILES
index cb1f02a60a..2992290d0d 100644
--- a/tests/QS/TEST_FILES
+++ b/tests/QS/TEST_FILES
@@ -1,4 +1,4 @@
 # runs are executed in the same order as in this file
 # the second field tells which test should be run in order to compare with the last available output
 # see regtest/TEST_FILES
-C.inp            1
+C.inp                             1     6e-14
diff --git a/tests/QS/regtest-admm-1/TEST_FILES b/tests/QS/regtest-admm-1/TEST_FILES
index 188464f73a..89cbb45698 100644
--- a/tests/QS/regtest-admm-1/TEST_FILES
+++ b/tests/QS/regtest-admm-1/TEST_FILES
@@ -1,7 +1,7 @@
 # runs are executed in the same order as in this file
 # the second field tells which test should be run in order to compare with the last available output
 # see regtest/TEST_FILES
-CH3-BP-MO_DIAG.inp                1     6e-14
-CH3-BP-MO_NO_DIAG.inp             1     3e-14
+CH3-BP-MO_DIAG.inp                1     1e-13
+CH3-BP-MO_NO_DIAG.inp             1     1e-13
 CH3-BP-NONE.inp                   1     6e-14
-CH3-BP-NONE_OT_OFF.inp                  1
+CH3-BP-NONE_OT_OFF.inp            1     2e-14
diff --git a/tests/QS/regtest-admm-2/TEST_FILES b/tests/QS/regtest-admm-2/TEST_FILES
index 9bb18e1bc8..7751c84a18 100644
--- a/tests/QS/regtest-admm-2/TEST_FILES
+++ b/tests/QS/regtest-admm-2/TEST_FILES
@@ -1,7 +1,7 @@
 CH3-BP-CAUCHY_SUBSPACE.inp        1     6e-14
-CH3-BP-CAUCHY_SUBSPACE_OT_OFF.inp       1
-CH3-BP-CAUCHY.inp                 1     6e-14
-CH3-BP-CAUCHY_OT_OFF.inp                1
+CH3-BP-CAUCHY_SUBSPACE_OT_OFF.inp    1     2e-14
+CH3-BP-CAUCHY.inp                 1     1e-13
+CH3-BP-CAUCHY_OT_OFF.inp          1     2e-14
 CH4-BP-MO_DIAG.inp                1     2e-13
 CH4-BP-MO_NO_DIAG.inp             1     2e-13
 CH4-BP-NONE.inp                   1     2e-13
diff --git a/tests/QS/regtest-admm-3/TEST_FILES b/tests/QS/regtest-admm-3/TEST_FILES
index 657a99a6bd..f549546b11 100644
--- a/tests/QS/regtest-admm-3/TEST_FILES
+++ b/tests/QS/regtest-admm-3/TEST_FILES
@@ -1,7 +1,7 @@
-CH4-BP-NONE_OT_OFF.inp                  1
+CH4-BP-NONE_OT_OFF.inp            1     3e-14
 CH4-BP-CAUCHY_SUBSPACE.inp        1     2e-13
-CH4-BP-CAUCHY_SUBSPACE_OT_OFF.inp       1
+CH4-BP-CAUCHY_SUBSPACE_OT_OFF.inp    1     3e-14
 CH4-BP-CAUCHY.inp                 1     2e-13
-CH4-BP-CAUCHY_OT_OFF.inp                1
-H2+-BLOCKED-PURIFY-OFF.inp        1     4e-14
-H2+-BLOCKED-PURIFY-FULL.inp       1     2e-10
+CH4-BP-CAUCHY_OT_OFF.inp          1     3e-14
+H2+-BLOCKED-PURIFY-OFF.inp        1     1e-13
+H2+-BLOCKED-PURIFY-FULL.inp       1     2e-07
diff --git a/tests/QS/regtest-admm-4/TEST_FILES b/tests/QS/regtest-admm-4/TEST_FILES
index 89e2814090..e61a5a0786 100644
--- a/tests/QS/regtest-admm-4/TEST_FILES
+++ b/tests/QS/regtest-admm-4/TEST_FILES
@@ -1,7 +1,7 @@
-H2+-BLOCKED-PURIFY-BLOCKED.inp    1     4e-14
-2H2O-BLOCKED-PURIFY-OFF.inp             1
-2H2O-BLOCKED-PURIFY-FULL.inp            1
-2H2O-BLOCKED-PURIFY-BLOCKED.inp         1
-MD-1.inp                                1
+H2+-BLOCKED-PURIFY-BLOCKED.inp    1     8e-13
+2H2O-BLOCKED-PURIFY-OFF.inp       1     3e-14
+2H2O-BLOCKED-PURIFY-FULL.inp      1     5e-14
+2H2O-BLOCKED-PURIFY-BLOCKED.inp    1     3e-14
+MD-1.inp                          1     7e-13
 MD-2_OT.inp                             1  1E-10
 MD-2_no_OT.inp                          1
diff --git a/tests/QS/regtest-almo/TEST_FILES b/tests/QS/regtest-almo/TEST_FILES
index e47a6a3f5a..0376188993 100644
--- a/tests/QS/regtest-almo/TEST_FILES
+++ b/tests/QS/regtest-almo/TEST_FILES
@@ -1,4 +1,4 @@
 almo-x.inp      11
-almo-guess.inp      11
-almo-scf.inp      11
+almo-guess.inp                   11     7e-14
+almo-scf.inp                     11     8e-14
 almo-d.inp                       11     4e-14
diff --git a/tests/QS/regtest-bs/TEST_FILES b/tests/QS/regtest-bs/TEST_FILES
index 9c642468e4..0f82374479 100644
--- a/tests/QS/regtest-bs/TEST_FILES
+++ b/tests/QS/regtest-bs/TEST_FILES
@@ -4,7 +4,7 @@
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
 # tests simmetry breaking in initialization for spin polarized systems
-cu2cl6_m1_std.inp                 1     7e-12
+cu2cl6_m1_std.inp                 1     2e-11
 cu2cl6_m3_std.inp                 1     8e-11
 cu2cl6_m1_clp6cud9.inp            1     5e-13
 cu2cl6_m3_clp6cud9.inp            1     5e-13
diff --git a/tests/QS/regtest-dft-vdw-corr/TEST_FILES b/tests/QS/regtest-dft-vdw-corr/TEST_FILES
index 9d630847c7..2a76e51651 100644
--- a/tests/QS/regtest-dft-vdw-corr/TEST_FILES
+++ b/tests/QS/regtest-dft-vdw-corr/TEST_FILES
@@ -20,20 +20,20 @@ dftd3_t8.inp                33
 #
 dftd3_t9.inp                33
 dftd3_t10.inp               33
-dftd3_t11.inp                7
+dftd3_t11.inp                     7     2e-12
 dftd3_t12.inp               33
 #
-argon01.inp                  1
-argon02.inp                  1
-argon03.inp                  1
-argon04.inp                  1
-argon05.inp                  1
-argon06.inp                  1
-argon07.inp                  1
-argon08.inp                  1
-argon09.inp                  1
-argon10.inp                  1
-argon11.inp                  1
-argon12.inp                  1
+argon01.inp                       1     3e-13
+argon02.inp                       1     2e-13
+argon03.inp                       1     9e-14
+argon04.inp                       1     2e-13
+argon05.inp                       1     4e-13
+argon06.inp                       1     4e-13
+argon07.inp                       1     5e-13
+argon08.inp                       1     4e-13
+argon09.inp                       1     4e-13
+argon10.inp                       1     3e-13
+argon11.inp                       1     3e-13
+argon12.inp                       1     1e-12
 # beef functional
-argon-beef.inp               1
+argon-beef.inp                    1     4e-13
diff --git a/tests/QS/regtest-dm-ls-scf/TEST_FILES b/tests/QS/regtest-dm-ls-scf/TEST_FILES
index 3257e23187..7c9c48a9a0 100644
--- a/tests/QS/regtest-dm-ls-scf/TEST_FILES
+++ b/tests/QS/regtest-dm-ls-scf/TEST_FILES
@@ -1,15 +1,15 @@
-H2-big-1.inp   11
-H2-big-2.inp   11
-H2-big-3.inp   11
-H2-big-4.inp   11
-H2-big-5.inp   11
-H2-big-6.inp   11
-H2-big-7.inp   11
-H2-big-8.inp   11
-H2-big-9.inp   11
+H2-big-1.inp                     11     2e-13
+H2-big-2.inp                     11     1e-13
+H2-big-3.inp                     11     2e-13
+H2-big-4.inp                     11     6e-14
+H2-big-5.inp                     11     2e-13
+H2-big-6.inp                     11     2e-13
+H2-big-7.inp                     11     2e-13
+H2-big-8.inp                     11     2e-13
+H2-big-9.inp                     11     2e-13
 H2-big-10.inp                    11     1e-07
 H2-big-11.inp                    11     4e-07
-H2-big-12.inp  11
+H2-big-12.inp                    11     2e-13
 H2O-32-se-ls-2.inp               11     1e-12
 H2O-32-dftb-ls-2.inp 11
 H2O-32-dftb-ls-2-2.inp 11
@@ -33,13 +33,13 @@ H2O-32-dftb-ls-6.inp 11
 H2O-32-dftb-ls-7.inp 11
 H2O-32-dftb-ls-8.inp 11
 H2O-32-dftb-trs4-dyn.inp 11
-H2_curvy-1.inp 11
-H2_curvy-2.inp 11
-H2_curvy-3.inp 11
+H2_curvy-1.inp                   11     1e-13
+H2_curvy-2.inp                   11     1e-13
+H2_curvy-3.inp                   11     1e-13
 H2O-chebyshev-01.inp 11
-H2O-dft-ecube.inp 11
+H2O-dft-ecube.inp                11     2e-14
 H2O-dipole.inp 39
-H2O-restart-write.inp 11
-H2O-restart-read.inp 11
-H2O-restart-read-curvy.inp 11
-H2O-curvy-prop.inp 11
+H2O-restart-write.inp            11     2e-14
+H2O-restart-read.inp             11     1e-13
+H2O-restart-read-curvy.inp       11     8e-14
+H2O-curvy-prop.inp               11     1e-13
diff --git a/tests/QS/regtest-double-hybrid-1/TEST_FILES b/tests/QS/regtest-double-hybrid-1/TEST_FILES
index c0e2a7fa03..85934958f3 100644
--- a/tests/QS/regtest-double-hybrid-1/TEST_FILES
+++ b/tests/QS/regtest-double-hybrid-1/TEST_FILES
@@ -1,2 +1,2 @@
 H2O_B2PLYP_GPW.inp               11     8e-07
-H2O_B2PLYP.inp         11
+H2O_B2PLYP.inp                   11     6e-14
diff --git a/tests/QS/regtest-double-hybrid-2/TEST_FILES b/tests/QS/regtest-double-hybrid-2/TEST_FILES
index 431e7a0327..7bc9f261d3 100644
--- a/tests/QS/regtest-double-hybrid-2/TEST_FILES
+++ b/tests/QS/regtest-double-hybrid-2/TEST_FILES
@@ -1,2 +1,2 @@
-H2O_B2GPPLYP.inp       11
-H2O_DSD-BLYP.inp       11
+H2O_B2GPPLYP.inp                 11     9e-14
+H2O_DSD-BLYP.inp                 11     1e-13
diff --git a/tests/QS/regtest-double-hybrid-3/TEST_FILES b/tests/QS/regtest-double-hybrid-3/TEST_FILES
index 0a3cc3b7b8..82baeddd76 100644
--- a/tests/QS/regtest-double-hybrid-3/TEST_FILES
+++ b/tests/QS/regtest-double-hybrid-3/TEST_FILES
@@ -1,2 +1,2 @@
-H2O_B2PLYP_D3.inp      11
-CH3_B2PLYP_allelec.inp 11
+H2O_B2PLYP_D3.inp                11     6e-14
+CH3_B2PLYP_allelec.inp           11     3e-13
diff --git a/tests/QS/regtest-gapw-1/TEST_FILES b/tests/QS/regtest-gapw-1/TEST_FILES
index 494e619a75..89d86f801f 100644
--- a/tests/QS/regtest-gapw-1/TEST_FILES
+++ b/tests/QS/regtest-gapw-1/TEST_FILES
@@ -12,5 +12,5 @@ CO_xastpfh.inp                    1     6e-14
 # density mixing
 c8_pmix_gapw_all.inp              1     3e-04
 c8_pmix_gapw_all_xashh.inp        1     1e-04
-c8_broy_gapw_all.inp              1     2e-14
+c8_broy_gapw_all.inp              1     1e-13
 c8_broy_gapw_all_xashh.inp        1     2e-11
diff --git a/tests/QS/regtest-gapw-2/TEST_FILES b/tests/QS/regtest-gapw-2/TEST_FILES
index 516d3aad88..674648813b 100644
--- a/tests/QS/regtest-gapw-2/TEST_FILES
+++ b/tests/QS/regtest-gapw-2/TEST_FILES
@@ -5,10 +5,10 @@
 #      for details see cp2k/tools/do_regtest
 # tests GAPW GTH and ALL
 # High-spin restricted open Kohn-Sham
-Li-ROKS.inp        1
+Li-ROKS.inp                       1     3e-14
 NO2-ROKS.inp       1
 # Level-shifting for ROKS
 C-levelshift.inp                  1     1e-13
 # Check restart for nmo = 0
-H2-pbe-restart-run.inp            1     3e-14
-H2-pbe-restart-rerun.inp          1     3e-14
+H2-pbe-restart-run.inp            1     6e-13
+H2-pbe-restart-rerun.inp          1     7e-13
diff --git a/tests/QS/regtest-gapw-4/TEST_FILES b/tests/QS/regtest-gapw-4/TEST_FILES
index 938c0a15d6..bc73f43e65 100644
--- a/tests/QS/regtest-gapw-4/TEST_FILES
+++ b/tests/QS/regtest-gapw-4/TEST_FILES
@@ -10,18 +10,18 @@ CO_xastpxfh.inp                   1     2e-12
 CO_xastpxfh_locall.inp            1     4e-14
 CO_xastpxfh_150Ry.inp   1
 #bug fix gpw_type
-H2O_gpw.inp                       1     2e-14
+H2O_gpw.inp                       1     2e-13
 #bug fix perdew_zunger
 Ne-BP.inp               1
 # mixed GPW/FULL_GAPW run
-H2O_gpw_full_gapw.inp             1     3e-14
-H2O_Onopaw.inp                    1     2e-14
-H2O_allnopaw.inp                  1     3e-14
+H2O_gpw_full_gapw.inp             1     2e-13
+H2O_Onopaw.inp                    1     2e-13
+H2O_allnopaw.inp                  1     6e-14
 H2O_Hnopaw_pp.inp                 1     3e-13
-H_hf_gapw_forcepaw.inp  1
-H_hf_gapw_nopaw.inp  1
-H_hf_gapw_nopaw_full.inp  1
+H_hf_gapw_forcepaw.inp            1     1e-13
+H_hf_gapw_nopaw.inp               1     7e-13
+H_hf_gapw_nopaw_full.inp          1     7e-13
 # mixed GPW/GAPW run forces
-H2O_Onopaw_gop.inp 1
+H2O_Onopaw_gop.inp                1     4e-14
 # GAPW element with local basis > number of projectors
-Fe.inp                            1     2e-14
+Fe.inp                            1     6e-14
diff --git a/tests/QS/regtest-gapw/TEST_FILES b/tests/QS/regtest-gapw/TEST_FILES
index f45ec832fa..2d2f67eac8 100644
--- a/tests/QS/regtest-gapw/TEST_FILES
+++ b/tests/QS/regtest-gapw/TEST_FILES
@@ -4,25 +4,25 @@
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
 # tests GAPW GTH and ALL
-H2O-gapw-gth.inp   1
+H2O-gapw-gth.inp                  1     3e-14
 H2O-gapw-all.inp   1
 H2O-gapw-all_localize.inp 23
 H2O-gapw-all_localize_crazy.inp  23
 H2O-gapw-all_loc_list.inp        23     2e-10
-H2O-gapwxc-gth.inp 1
+H2O-gapwxc-gth.inp                1     2e-13
 # test with presence of soft S
 H2S-gapw.inp                      1     9e-14
 # tests GAPW  6-311++G(3df,3pd)
 HF_gapw_all_LB.inp                1     4e-13
 # tests GAPW  6-311++G(3df,3pd) and LSD
-OF_gapw_all_lsd_LB.inp 1
+OF_gapw_all_lsd_LB.inp            1     3e-14
 # keep special case alive
-H-gapw-all.inp     1
+H-gapw-all.inp                    1     2e-13
 # test the full_all with LSD and GAPW
-He2-all.inp        1
+He2-all.inp                       1     3e-13
 He2-all-md.inp                    1     3e-14
 # new option : stride_xyz
-H2O-gapw-gth-pvh.inp 1
+H2O-gapw-gth-pvh.inp              1     3e-14
 # localization with non orthorhombic cell
 H2O-gapw-all_noortho.inp  1
 H2O-gapw-all_localize_noortho.inp   23     3e-11
@@ -32,9 +32,9 @@ Be_GAPW.inp                       1     3e-13
 # Single atom isolated function
 Na_atom.inp                       1     5e-13
 #
-h2o_dist.inp       1
+h2o_dist.inp                      1     3e-13
 H2S-gapw-gop.inp                  1     2e-13
-H2S-gapw-ot.inp                   1     3e-14
+H2S-gapw-ot.inp                   1     2e-13
 H2S-gapw-gop-ot.inp               1     1e-13
 # XRD total density output to file
 xrd.inp            0
diff --git a/tests/QS/regtest-gpw-1/TEST_FILES b/tests/QS/regtest-gpw-1/TEST_FILES
index 04d54cfc6e..effaf4f860 100644
--- a/tests/QS/regtest-gpw-1/TEST_FILES
+++ b/tests/QS/regtest-gpw-1/TEST_FILES
@@ -3,38 +3,38 @@
 # e.g. 0 means do not compare anything, running is enough
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
-Ar.inp             1
-NO2_lsd.inp        1
+Ar.inp                            1     3e-13
+NO2_lsd.inp                       1     5e-14
 #Harris funcional 
-H2O-harris.inp     1
-H2O-MD-harris.inp  1
+H2O-harris.inp                    1     4e-14
+H2O-MD-harris.inp                 1     5e-14
 #Force consistency via FDs
 H2O-Harris-Debug-SCF.inp 1
 H2O-Harris-Debug-NoSCF.inp 1
 #QS
-Ar-2.inp           1
-Ar-3.inp           1
+Ar-2.inp                          1     3e-13
+Ar-3.inp                          1     7e-13
 H2O_tddfpt.inp     0
-H2O-tddfpt-saop.inp 1
-Ar-4.inp           1
-Ar-5.inp           1
-pyridine.inp       1
+H2O-tddfpt-saop.inp               1     1e-13
+Ar-4.inp                          1     4e-13
+Ar-5.inp                          1     4e-13
+pyridine.inp                      1     2e-13
 Ar-12.inp          1
 # these should in fact have all 'identical' energies
-Ar-6.inp           1
-Ar-7.inp           1
-Ar-8.inp           1
+Ar-6.inp                          1     2e-13
+Ar-7.inp                          1     2e-13
+Ar-8.inp                          1     2e-13
 # 
-Ar-9.inp           1
-Ar-10.inp          1
-Ar-11.inp          1
+Ar-9.inp                          1     2e-13
+Ar-10.inp                         1     2e-13
+Ar-11.inp                         1     2e-13
 # b97grimme and electronic kineitc energy
-Ar-13.inp          1
+Ar-13.inp                         1     8e-13
 # different pseudo style
-K2.inp             1
+K2.inp                            1     1e-12
 H2.inp             1
 # printing of structure data
-H2O-geoopt.inp     1
+H2O-geoopt.inp                    1     4e-14
 H2O-fixed.inp      1
 h2o_dip_berry.inp  17
 h2o_dip_iso.inp    17
@@ -43,23 +43,23 @@ H2-inpp.inp        0
 # vdW correction
 vdW_PP_GRIMME.inp  33
 # core_ppl on grid
-core_pp_1.inp     1
-core_pp_2.inp     1
+core_pp_1.inp                     1     8e-14
+core_pp_2.inp                     1     3e-14
 # vdW correction
 vdW_PP_GRIMME_p1.inp 33
 vdW_PP_GRIMME_p2.inp 33
 # finer xc grids
-Ar-fine-1.inp 1
+Ar-fine-1.inp                     1     4e-14
 # a basis none first kind
-H2O-none.inp 1
+H2O-none.inp                      1     3e-14
 # extended pseudopotentials
 h4.t1.inp 1
-h4.t2.inp 1
-h4.t3.inp 1
+h4.t2.inp                         1     2e-13
+h4.t3.inp                         1     9e-14
 h4.t4.inp                         1     5e-14
 h4.t5.inp 1
-h2.t1.inp 1
-h2.t2.inp 1
+h2.t1.inp                         1     9e-14
+h2.t2.inp                         1     5e-14
 # EV93 xc functional
 Li2-0-SCF-PBE.inp 53
 Li2-1-nSCF-EV.inp 53
@@ -67,4 +67,4 @@ Li2-2-nSCF-EV93.inp 53
 Li2-3-nSCF-EV93.inp 52
 Li2-4-nSCF-EV93.inp 48
 # debug
-Ne_debug.inp 1
+Ne_debug.inp                      1     1e-13
diff --git a/tests/QS/regtest-gpw-2-1/TEST_FILES b/tests/QS/regtest-gpw-2-1/TEST_FILES
index 78e0123fc7..ba130fbfda 100644
--- a/tests/QS/regtest-gpw-2-1/TEST_FILES
+++ b/tests/QS/regtest-gpw-2-1/TEST_FILES
@@ -6,12 +6,12 @@
 #normal mode analysis
 H2-vib.inp         8
 # test thermostats
-H2O-2.inp          1
-H2O-3.inp          1
-H2O-4.inp          1
+H2O-2.inp                         1     3e-14
+H2O-3.inp                         1     4e-14
+H2O-4.inp                         1     3e-14
 # core ham bug
-ZrO.inp            1
+ZrO.inp                           1     5e-14
 # new xc routines
-Ar-12.inp          1
-Ar-13.inp          1
+Ar-12.inp                         1     3e-13
+Ar-13.inp                         1     8e-13
 # Metadynamics and restart of metadynamics
diff --git a/tests/QS/regtest-gpw-2-2/TEST_FILES b/tests/QS/regtest-gpw-2-2/TEST_FILES
index 366f9ee445..7c1ca5baf2 100644
--- a/tests/QS/regtest-gpw-2-2/TEST_FILES
+++ b/tests/QS/regtest-gpw-2-2/TEST_FILES
@@ -1,13 +1,13 @@
-H2O-meta_kinds.inp 1
+H2O-meta_kinds.inp                1     4e-14
 H2O-meta.inp       1
-H2O-meta_res0.inp  1
-H2O-meta_res1.inp  1
+H2O-meta_res0.inp                 1     4e-14
+H2O-meta_res1.inp                 1     3e-14
 H2O-meta_res2.inp  1
-H2O-meta_res3.inp  1
+H2O-meta_res3.inp                 1     3e-14
 # tpss
-H2O-tpss.inp       1
+H2O-tpss.inp                      1     2e-13
 # tpss new input   
-H2O-tpss_new.inp   1
+H2O-tpss_new.inp                  1     2e-13
 # farming
 farming.inp        0
 #more checking on metadynamics RESTART
diff --git a/tests/QS/regtest-gpw-2-3/TEST_FILES b/tests/QS/regtest-gpw-2-3/TEST_FILES
index 96771eab62..1cb9837d17 100644
--- a/tests/QS/regtest-gpw-2-3/TEST_FILES
+++ b/tests/QS/regtest-gpw-2-3/TEST_FILES
@@ -2,17 +2,17 @@ hcn_ts.inp         7
 hcn_ts_r.inp                      7     1e-07
 #  chain of two coordination numbers
 hcn_md.inp               1
-hcn_meta_coord.inp       1
+hcn_meta_coord.inp                1     4e-14
 hcn_meta_chaincoord.inp           1     3e-14
 hcn_meta_chaincoord_kind.inp 1 1E-13
 # Population colvar
-H2O_meta_pop.inp         1
+H2O_meta_pop.inp                  1     3e-14
 # Metadynamics with langevin on COLVAR
 H2O_meta_langevin.inp    1
 #gyration radius
-Au13ico_mtd.inp    1  1E-13
+Au13ico_mtd.inp                   1     2e-13
 # rmsd AB
 Au12_rmsd_AB_mtd.inp   1 1E-12
-Au12_rmsd_A_mtd.inp               1     2e-13
+Au12_rmsd_A_mtd.inp               1     3e-12
 # tpss new input   
-H2O-tpss_lsd.inp   1
+H2O-tpss_lsd.inp                  1     3e-13
diff --git a/tests/QS/regtest-gpw-3/TEST_FILES b/tests/QS/regtest-gpw-3/TEST_FILES
index f74803b011..6f40bf2ae7 100644
--- a/tests/QS/regtest-gpw-3/TEST_FILES
+++ b/tests/QS/regtest-gpw-3/TEST_FILES
@@ -4,20 +4,20 @@
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
 # Martyna-Tuckerman 3D
-H+.inp             1
-H+.TI.inp          1
-He2H-.inp          1
+H+.inp                            1     3e-11
+H+.TI.inp                         1     3e-11
+He2H-.inp                         1     9e-12
 # Bloechl decoupling technique
 H+-bloechl.inp                    1     3e-11
 He2H-bloechl-md.inp               1     2e-11
 He2H-bloechl.inp                  1     4e-12
-H2O-bloechl.inp                   1     2e-14
+H2O-bloechl.inp                   1     1e-13
 H2O-bloechl-Spl.inp               1     2e-14
 H2O-bloechl-restraint.inp         1     3e-12
 # S**2
 CN.inp             4
 # testing of distributed rs grids
-rsgrid-dist-1.inp  1
+rsgrid-dist-1.inp                 1     4e-14
 #BSSE
 2H2O_bsse.inp      5
 2H2O_bsse_r.inp    5
@@ -30,36 +30,36 @@ H2O-langevin-1.inp 1
 H2O-langevin-2.inp 1
 #Ref grid
 H2O-ref-1.inp      1
-H2O-ref-2.inp      1
+H2O-ref-2.inp                     1     3e-14
 # All-to-all single communication in parallel runs
 H2O-ata.inp                       1     1e-08
 # Lowdin charges
 CN-lowdin.inp 41
 # High-spin restricted open Kohn-Sham
-H-ROKS.inp         1
-N-ROKS.inp         1
+H-ROKS.inp                        1     4e-14
+N-ROKS.inp                        1     2e-13
 O2-ROKS.inp        1
 # Onsager Model
 H+solv1.inp                       1     1e-12
-H2O-solv.inp       1
+H2O-solv.inp                      1     1e-13
 #XC_FUN NONE
-H2O-xc_none.inp    1
+H2O-xc_none.inp                   1     2e-14
 # ghost atom dynamics
 dynamics.inp                      1     2e-11
 # RESP charges
 CH3OH.inp          0
 # distributed non-ortho grids
-rsgrid-dist-2.inp  1
+rsgrid-dist-2.inp                 1     3e-14
 # also write wavefunctions
 rsgrid-dist-3.inp                 1     3e-14
 # ghost atom dynamics at high cutoff highlights problems
-dynamics-2.inp       1
-ghost_overlap.inp                 1     2e-14
-ghost_overlap_vdw.inp 1
+dynamics-2.inp                    1     2e-13
+ghost_overlap.inp                 1     7e-14
+ghost_overlap_vdw.inp             1     7e-14
 # Population analyses
 NO2-mulliken.inp 41
 NO2-lowdin.inp 41
 # Test the new option relax_multiplicity
 O2-UKS-GPW-relax_multip.inp  1
-H2O-UKS-GPW-relax_multip.inp 1
-O2-UKS-OTdiag-relax_multip.inp 1
+H2O-UKS-GPW-relax_multip.inp      1     1e-13
+O2-UKS-OTdiag-relax_multip.inp    1     5e-14
diff --git a/tests/QS/regtest-gpw-4/TEST_FILES b/tests/QS/regtest-gpw-4/TEST_FILES
index 367968a108..91764ac5ee 100644
--- a/tests/QS/regtest-gpw-4/TEST_FILES
+++ b/tests/QS/regtest-gpw-4/TEST_FILES
@@ -4,9 +4,9 @@
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
 # isokinetic ensemble
-H2O-5.inp          1
+H2O-5.inp                         1     2e-14
 # the added_MOs keyword
-H2O-6.inp          1
+H2O-6.inp                         1     2e-14
 # tests BFGS and LBFGS and CG
 H2-geo-1.inp       1 1E-11
 H2-geo-2.inp       1
@@ -17,12 +17,12 @@ Cu.inp             1
 # test derivatives and keywords
 H2O-debug-1.inp    1
 H2O-debug-2.inp    1
-H2O-debug-3.inp    1
-H2O-debug-4.inp    1
+H2O-debug-3.inp                   1     4e-14
+H2O-debug-4.inp                   1     4e-14
 # new colvar
-C2H4-meta.inp      1
+C2H4-meta.inp                     1     3e-14
 # improved atomic_kind
-test-pdb.inp       1
+test-pdb.inp                      1     4e-14
 # Spin density DDAP charges
 H2O+SC.inp         0
 # spin restraint
@@ -32,35 +32,35 @@ H2O-meta_g.inp     1
 #Colvar for hydronium
 H2O-meta_hydro.inp                1     4e-14
 #NPT ensemble with QS
-H2O-7.inp          1
+H2O-7.inp                         1     3e-14
 #test wavelet based poisson solver for different boundary conditions
-H2O_wavelet_free.inp  1
-H2O_wavelet_free2.inp 1
+H2O_wavelet_free.inp              1     1e-13
+H2O_wavelet_free2.inp             1     3e-14
 H2O_wavelet_XZ.inp    1
 #function to compute splined values - distributed grids
 NO2-EFG-1.inp                    19     5e-12
-H2O-8.inp            1
-H2O-9.inp            1
+H2O-8.inp                         1     2e-13
+H2O-9.inp                         1     2e-13
 # a system with a very small (1x1) KS matrix
-H.inp                1
+H.inp                             1     2e-13
 # one (ghost) atom has no basis set associated
-basis_none_1.inp     1 1E-13
-basis_none_2.inp                  1     2e-14
+basis_none_1.inp                  1     3e-12
+basis_none_2.inp                  1     1e-12
 # cell opt with a restart
 cell-1.inp           7
 cell-2.inp           7
 #multiple ddapc restraints
 He3_multi_ddapc.inp               1     3e-09
 #many added MOS with LSD
-N.inp                1
-N_notfixedMM.inp     1
+N.inp                             1     2e-13
+N_notfixedMM.inp                  1     2e-13
 #new diagonalization
 h2o-otdiag.inp                    1     4e-13
-h2o-diag.inp         1
+h2o-diag.inp                      1     6e-14
 h2o-otdiag-lsd.inp   1 1E-13
 #external electrostatic field
-H2O-extpot.inp      11
-H-extpot.inp        11
+H2O-extpot.inp                   11     4e-14
+H-extpot.inp                     11     1e-12
 # welltempered metadynamics
 2H2O_meta_welltemp.inp            1     2e-14
 ND3_meta_welltemp.inp   1
diff --git a/tests/QS/regtest-gpw-5/TEST_FILES b/tests/QS/regtest-gpw-5/TEST_FILES
index f8a881500a..981be8df61 100644
--- a/tests/QS/regtest-gpw-5/TEST_FILES
+++ b/tests/QS/regtest-gpw-5/TEST_FILES
@@ -4,12 +4,12 @@
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
 # mixing procedures nr. 1
-si8_pmix.inp            1
-si8_kerker.inp          1
+si8_pmix.inp                      1     3e-14
+si8_kerker.inp                    1     4e-14
 si8_pulay.inp                     1     1e-13
 si8_broy.inp            1
 si8_pulay_md.inp        1
-si8_pulay_skip.inp      1
+si8_pulay_skip.inp                1     2e-14
 # cholesky methods
 si8_pulay_reduce.inp              1     1e-13
 si8_pulay_restore.inp             1     1e-13
diff --git a/tests/QS/regtest-gpw-6-2/TEST_FILES b/tests/QS/regtest-gpw-6-2/TEST_FILES
index cddbd933c2..a5578d26cd 100644
--- a/tests/QS/regtest-gpw-6-2/TEST_FILES
+++ b/tests/QS/regtest-gpw-6-2/TEST_FILES
@@ -3,6 +3,6 @@ si8_noort_broy_wc_jacobi_ene2.inp   23     6e-10
 si8_noort_broy_wc_jacobi_ene1.inp   23     3e-07
 si8_noort_broy_wc_direct_ene.inp    23 1E-9
 #
-si8_lsd_broy_stm.inp              1     1e-13
+si8_lsd_broy_stm.inp              1     2e-13
 si8_lsd_broy_wc_ene.inp          23     4e-10
 si8_lsd_broy_wc.inp              23     2e-09
diff --git a/tests/QS/regtest-gpw-6-3/TEST_FILES b/tests/QS/regtest-gpw-6-3/TEST_FILES
index 7f6a7a3162..36fcc0d7ef 100644
--- a/tests/QS/regtest-gpw-6-3/TEST_FILES
+++ b/tests/QS/regtest-gpw-6-3/TEST_FILES
@@ -3,6 +3,6 @@ si8_lsd_broy_wc_list.inp         23     2e-10
 si8_lsd_broy_wc_list_rst.inp     23     2e-10
 si8_lsd_broy_fm0.2.inp       48
 #
-c8_kerker.inp                     1     5e-14
-c8_pmix.inp         1
-c8_pmix_gapw.inp    1
+c8_kerker.inp                     1     1e-13
+c8_pmix.inp                       1     2e-13
+c8_pmix_gapw.inp                  1     5e-14
diff --git a/tests/QS/regtest-gpw-6-4/TEST_FILES b/tests/QS/regtest-gpw-6-4/TEST_FILES
index 251b1f43cf..69982bc848 100644
--- a/tests/QS/regtest-gpw-6-4/TEST_FILES
+++ b/tests/QS/regtest-gpw-6-4/TEST_FILES
@@ -1,10 +1,10 @@
 c8_kerker_gapw.inp                1     5e-14
 #
-c8_broy.inp          1
+c8_broy.inp                       1     1e-13
 c8_broy_gop.inp                   1     9e-07
-c8_broy_gapw.inp     1
+c8_broy_gapw.inp                  1     4e-14
 c8_broy_gapw_gop.inp 1 1E-6
 # NLCC corrected pseudos with forces
-Ne_nlcc_md.inp 1
+Ne_nlcc_md.inp                    1     5e-14
 # diagonalization library
-c8_broy_elpa.inp          1
+c8_broy_elpa.inp                  1     1e-13
diff --git a/tests/QS/regtest-gpw-7/TEST_FILES b/tests/QS/regtest-gpw-7/TEST_FILES
index 1d19c211db..13a4b027b4 100644
--- a/tests/QS/regtest-gpw-7/TEST_FILES
+++ b/tests/QS/regtest-gpw-7/TEST_FILES
@@ -1,5 +1,5 @@
 # Krylov space refiniment
-si8_pmix_otdiag.inp               1     2e-14
+si8_pmix_otdiag.inp               1     7e-14
 si8_broy_kry.inp                  1     2e-10
 si8_broy_kry_r.inp                1     3e-11
 #metadyn with min displacement
diff --git a/tests/QS/regtest-gpw-8/TEST_FILES b/tests/QS/regtest-gpw-8/TEST_FILES
index 355407ca0d..c48544b2a4 100644
--- a/tests/QS/regtest-gpw-8/TEST_FILES
+++ b/tests/QS/regtest-gpw-8/TEST_FILES
@@ -1,7 +1,7 @@
 # bugs in berry phase dipole
 bug_ai_moments.inp     39
 #
-si8_broy_stm.inp                  1     1e-13
+si8_broy_stm.inp                  1     2e-13
 si8_broy_wc.inp                  23     8e-07
 si8_broy_wc_crazy.inp            23     1e-06
 si8_broy_wc_crazy_ene.inp 23 1E-12
@@ -9,9 +9,9 @@ si8_broy_wc_crazy_ene.inp 23 1E-12
 si8_broy_dav_t300.inp             1     2e-12
 si8_broy_dav_t300_r.inp           1     7e-14
 si8_broy_dav_t5000_r.inp          1     2e-10
-si8_broy_dav_t300_lsd.inp         1     4e-14
+si8_broy_dav_t300_lsd.inp         1     1e-13
 si8_broy_std_md.inp               1     3e-14
 si8_broy_dav_md.inp        1 1E-13
 si8_broy_davsparse_md.inp         1     5e-14
 #
-si8_broy_ch.inp          1
+si8_broy_ch.inp                   1     3e-14
diff --git a/tests/QS/regtest-hfx-periodic/TEST_FILES b/tests/QS/regtest-hfx-periodic/TEST_FILES
index b0638bba47..c1314d10c6 100644
--- a/tests/QS/regtest-hfx-periodic/TEST_FILES
+++ b/tests/QS/regtest-hfx-periodic/TEST_FILES
@@ -1,12 +1,12 @@
 # runs are executed in the same order as in this file
 # the second field tells which test should be run in order to compare with the last available output
 # see regtest/TEST_FILES
-H2O-trunc-2.inp               1
-H2O-trunc-auto.inp            1
+H2O-trunc-2.inp                   1     3e-14
+H2O-trunc-auto.inp                1     3e-14
 H2O-coul-0.inp                1
 H2O-trunc-auto-md.inp         2
-CH3-trunc-auto.inp            1
+CH3-trunc-auto.inp                1     3e-14
 CH3-trunc-1.inp                   1     9e-14
 CH3-trunc-auto-md.inp         2
 CH3-coul-0.inp                    1     9e-14
-h2o-respa.inp                     1
+h2o-respa.inp                     1     3e-14
diff --git a/tests/QS/regtest-hfx-stress/TEST_FILES b/tests/QS/regtest-hfx-stress/TEST_FILES
index 0e929646a5..d2a44b0d8b 100644
--- a/tests/QS/regtest-hfx-stress/TEST_FILES
+++ b/tests/QS/regtest-hfx-stress/TEST_FILES
@@ -3,5 +3,5 @@
 # see regtest/TEST_FILES
 ch3-admm.inp      31
 ch3.inp           31
-ch4-admm.inp      31
+ch4-admm.inp                     31     6e-09
 h2o.inp           31
diff --git a/tests/QS/regtest-hfx-wfn-fitting/TEST_FILES b/tests/QS/regtest-hfx-wfn-fitting/TEST_FILES
index 36c0a69f33..ef66f5b62c 100644
--- a/tests/QS/regtest-hfx-wfn-fitting/TEST_FILES
+++ b/tests/QS/regtest-hfx-wfn-fitting/TEST_FILES
@@ -1,9 +1,9 @@
 # runs are executed in the same order as in this file
 # the second field tells which test should be run in order to compare with the last available output
 # see regtest/TEST_FILES
-CH3-HSE06.inp                     1     3e-14
-CH3-PBE0.inp                      1     6e-14
-CH3-PBE0_TC.inp                   1     3e-14
+CH3-HSE06.inp                     1     3e-13
+CH3-PBE0.inp                      1     1e-13
+CH3-PBE0_TC.inp                   1     6e-14
 CH4-HSE06.inp                     1     2e-13
 CH4-PBE0.inp                      1     2e-13
 CH4-PBE0_TC.inp                   1     2e-13
diff --git a/tests/QS/regtest-hfx/TEST_FILES b/tests/QS/regtest-hfx/TEST_FILES
index 51f31c8f48..014c2a2755 100644
--- a/tests/QS/regtest-hfx/TEST_FILES
+++ b/tests/QS/regtest-hfx/TEST_FILES
@@ -10,12 +10,12 @@ H2O_pw.inp           22
 4H2O-disk.inp                     1     2e-13
 4H2O-mix-disk-ram.inp             1     2e-13
 4H2O-mix-disk-ram-on-the-fly.inp    1     2e-13
-H2O-geminal-1.inp     1
-He-ri.inp             1
+H2O-geminal-1.inp                 1     2e-13
+He-ri.inp                         1     1e-13
 H2O-hfx-emd.inp       2
 H2O-hfx-emd-restart.inp  2 1E-11
-He-gemopt.inp         1
-H2O-hfx-atprop.inp    1
+He-gemopt.inp                     1     3e-13
+H2O-hfx-atprop.inp                1     8e-14
 H2O-hfx-ls-emd.inp    2
 H2O-hfx-ls-rtp.inp    1
 H2O-hfx-ls-rtp-bch.inp 1
diff --git a/tests/QS/regtest-hole-funct/TEST_FILES b/tests/QS/regtest-hole-funct/TEST_FILES
index d05e8248ba..696d41be17 100644
--- a/tests/QS/regtest-hole-funct/TEST_FILES
+++ b/tests/QS/regtest-hole-funct/TEST_FILES
@@ -1,13 +1,13 @@
 # runs are executed in the same order as in this file
 # the second field tells which test should be run in order to compare with the last available output
 # see regtest/TEST_FILES
-CH_BeckeRoussel_R_0.0.inp     1
+CH_BeckeRoussel_R_0.0.inp         1     2e-14
 CH_BeckeRoussel_R_1.0.inp     1 1E-13
 H2O_BeckeRoussel_R_0.0.inp    1
 H2O_BeckeRoussel_R_1.0.inp    1
-H2O_LDA_HOLE_T_C_LR_1.0.inp   1
-CH_LDA_HOLE_T_C_LR_1.0.inp    1 1E-11
+H2O_LDA_HOLE_T_C_LR_1.0.inp       1     3e-14
+CH_LDA_HOLE_T_C_LR_1.0.inp        1     7e-11
 H2O_PBE_HOLE_T_C_LR_1.0.inp   1
-CH_PBE_HOLE_T_C_LR_1.0.inp    1 1E-12
-CH_GV09_1.0.inp                   1     3e-11
-H2O_GV09_1.0.inp              1
+CH_PBE_HOLE_T_C_LR_1.0.inp        1     3e-11
+CH_GV09_1.0.inp                   1     7e-10
+H2O_GV09_1.0.inp                  1     5e-14
diff --git a/tests/QS/regtest-hybrid-1/TEST_FILES b/tests/QS/regtest-hybrid-1/TEST_FILES
index 95fbbd0c7d..b9cb8dcf9d 100644
--- a/tests/QS/regtest-hybrid-1/TEST_FILES
+++ b/tests/QS/regtest-hybrid-1/TEST_FILES
@@ -4,4 +4,4 @@
 H2O-hybrid-bhandh.inp         1
 H2O-hybrid-bhandhlyp.inp      1
 H2O-hybrid-pbe0.inp           1
-H2O-hybrid-b3lyp.inp          1
+H2O-hybrid-b3lyp.inp              1     4e-14
diff --git a/tests/QS/regtest-hybrid-2/TEST_FILES b/tests/QS/regtest-hybrid-2/TEST_FILES
index 7dbcd4a3be..23487d23bf 100644
--- a/tests/QS/regtest-hybrid-2/TEST_FILES
+++ b/tests/QS/regtest-hybrid-2/TEST_FILES
@@ -1,7 +1,7 @@
-H2O-hybrid-b3lyp-g03.inp      1
+H2O-hybrid-b3lyp-g03.inp          1     3e-14
 CH3-hybrid-b3lyp-lsd-g03.inp      1     1e-13
 CH3-hybrid-handh-lsd.inp          1     1e-13
 CH3-hybrid-handhlyp-lsd.inp       1     1e-13
 CH3-hybrid-pbe0-lsd.inp           1     1e-13
-NE-hybrid-HSE03-lda.inp       1
-NE-hybrid-HSE06-lda.inp       1
+NE-hybrid-HSE03-lda.inp           1     2e-14
+NE-hybrid-HSE06-lda.inp           1     4e-14
diff --git a/tests/QS/regtest-hybrid-3/TEST_FILES b/tests/QS/regtest-hybrid-3/TEST_FILES
index 5c200dfd90..c07f8c3844 100644
--- a/tests/QS/regtest-hybrid-3/TEST_FILES
+++ b/tests/QS/regtest-hybrid-3/TEST_FILES
@@ -1,7 +1,7 @@
 CH3-hybrid-HSE06-lsd.inp          1     1e-13
-H2O-hybrid-b3lyp_shortcut.inp 1
+H2O-hybrid-b3lyp_shortcut.inp     1     4e-14
 H2O-hybrid-pbe0_shortcut.inp  1
 Li-hybrid-rcam-b3lyp.inp          1     3e-08
 Ne-hybrid-rcam-b3lyp.inp          1     1e-11
-Li-hybrid-MCY3.inp                1     4e-14
+Li-hybrid-MCY3.inp                1     1e-13
 Ne-hybrid-MCY3.inp                1     5e-13
diff --git a/tests/QS/regtest-hybrid-4/TEST_FILES b/tests/QS/regtest-hybrid-4/TEST_FILES
index cb4b55284d..c1a909e456 100644
--- a/tests/QS/regtest-hybrid-4/TEST_FILES
+++ b/tests/QS/regtest-hybrid-4/TEST_FILES
@@ -1,9 +1,9 @@
 H2_PW_HFX.inp                 22
 CH4-PBE0_TC.inp                   1     8e-14
-CH3-PBE0_TC.inp               1
-CH3-PBE0_TC_LRC.inp           1
+CH3-PBE0_TC.inp                   1     6e-14
+CH3-PBE0_TC_LRC.inp               1     2e-14
 CH4-PBE0_TC_LRC.inp               1     7e-14
 farming-1.inp                 0
 Ne_hybrid-rcam-b3lyp_tc.inp       1     7e-14
 Ne-periodic-shortrange.inp    1
-wB97X-V.inp                   1
+wB97X-V.inp                       1     3e-13
diff --git a/tests/QS/regtest-kg/TEST_FILES b/tests/QS/regtest-kg/TEST_FILES
index 467ef2e640..da5ea8509f 100644
--- a/tests/QS/regtest-kg/TEST_FILES
+++ b/tests/QS/regtest-kg/TEST_FILES
@@ -4,9 +4,9 @@
 H2_MD.inp                        11     7e-07
 H2_MD-2.inp                      11     7e-07
 H2_MD-3.inp                      11     7e-07
-H2-libxc.inp 11
-H2-libxc-ot.inp 11
-H2-libxc-diag.inp 11
+H2-libxc.inp                     11     5e-14
+H2-libxc-ot.inp                  11     4e-14
+H2-libxc-diag.inp                11     5e-14
 geo-phase-1.inp                  11     5e-07
 geo-phase-2.inp 0
 H2_KG-1.inp                      11     7e-07
diff --git a/tests/QS/regtest-libxc/TEST_FILES b/tests/QS/regtest-libxc/TEST_FILES
index c8f142b4dd..52499e614f 100644
--- a/tests/QS/regtest-libxc/TEST_FILES
+++ b/tests/QS/regtest-libxc/TEST_FILES
@@ -3,12 +3,12 @@
 # e.g. 0 means do not compare anything, running is enough
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
-H2O-hybrid-b3lyp_libxc_uks.inp        1
-H2O_pbe_libxc_tddfpt-s.inp            1
+H2O-hybrid-b3lyp_libxc_uks.inp    1     3e-14
+H2O_pbe_libxc_tddfpt-s.inp        1     6e-14
 H2O_lda_libxc_tddfpt-s.inp            1     
 H2O_pbe_libxc_tddfpt-t_uks.inp        1
-H2O-hybrid-b3lyp_libxc.inp            1
+H2O-hybrid-b3lyp_libxc.inp        1     3e-14
 H2O_lda_libxc_tddfpt-t_uks.inp        1
-H2O-tpssx_libxc.inp                   1
+H2O-tpssx_libxc.inp               1     3e-13
 diamond_br89_libxc_uks.inp        1     2e-14
 diamond_br89_libxc.inp            1     2e-14
diff --git a/tests/QS/regtest-lsroks/TEST_FILES b/tests/QS/regtest-lsroks/TEST_FILES
index 3cd5cee610..e591e8ed06 100644
--- a/tests/QS/regtest-lsroks/TEST_FILES
+++ b/tests/QS/regtest-lsroks/TEST_FILES
@@ -1 +1 @@
-O2.inp            1
+O2.inp                            1     6e-14
diff --git a/tests/QS/regtest-md-extrap/TEST_FILES b/tests/QS/regtest-md-extrap/TEST_FILES
index ae70a1c8e5..ec74f233f5 100644
--- a/tests/QS/regtest-md-extrap/TEST_FILES
+++ b/tests/QS/regtest-md-extrap/TEST_FILES
@@ -4,22 +4,22 @@
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
 extrap-1.inp 1
-extrap-2.inp 1
+extrap-2.inp                      1     3e-14
 extrap-3.inp 1
-extrap-4.inp 1
+extrap-4.inp                      1     4e-14
 extrap-5.inp 1
-extrap-6.inp 1
-extrap-7.inp                      1     2e-14
+extrap-6.inp                      1     3e-14
+extrap-7.inp                      1     4e-14
 extrap-8.inp 1
 extrap-9.inp 1
 extrap-10.inp 1
 extrap-1-far.inp 1
 extrap-2-far.inp 1
-extrap-3-far.inp 1
+extrap-3-far.inp                  1     3e-14
 extrap-4-far.inp                  1     3e-12
-extrap-5-far.inp 1
-extrap-6-far.inp 1
+extrap-5-far.inp                  1     3e-14
+extrap-6-far.inp                  1     8e-14
 extrap-7-far.inp 1
 extrap-8-far.inp 1
-extrap-9-far.inp 1
-extrap-10-far.inp 1
+extrap-9-far.inp                  1     2e-14
+extrap-10-far.inp                 1     3e-14
diff --git a/tests/QS/regtest-md-lgvregion/TEST_FILES b/tests/QS/regtest-md-lgvregion/TEST_FILES
index 0a8cbdd6a6..24a1e03360 100644
--- a/tests/QS/regtest-md-lgvregion/TEST_FILES
+++ b/tests/QS/regtest-md-lgvregion/TEST_FILES
@@ -3,7 +3,7 @@
 # e.g. 0 means do not compare anything, running is enough
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
-langevin_regions-1.inp   1
-langevin_regions-2.inp   1
-langevin_regions-3.inp   1
-langevin_regions-4.inp   1
+langevin_regions-1.inp            1     4e-14
+langevin_regions-2.inp            1     4e-14
+langevin_regions-3.inp            1     4e-14
+langevin_regions-4.inp            1     3e-14
diff --git a/tests/QS/regtest-meta/TEST_FILES b/tests/QS/regtest-meta/TEST_FILES
index b4904858d4..d9d268ffe6 100644
--- a/tests/QS/regtest-meta/TEST_FILES
+++ b/tests/QS/regtest-meta/TEST_FILES
@@ -3,4 +3,4 @@
 # e.g. 0 means do not compare anything, running is enough
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
-H2O-IP-meta.inp               2
+H2O-IP-meta.inp                   2     1e-11
diff --git a/tests/QS/regtest-mp2-1/TEST_FILES b/tests/QS/regtest-mp2-1/TEST_FILES
index da6aff72f8..5fbda8d0b8 100644
--- a/tests/QS/regtest-mp2-1/TEST_FILES
+++ b/tests/QS/regtest-mp2-1/TEST_FILES
@@ -1,2 +1,2 @@
-H2O-01.inp  11
-Li.inp  11
+H2O-01.inp                       11     3e-13
+Li.inp                           11     4e-13
diff --git a/tests/QS/regtest-mp2-2/TEST_FILES b/tests/QS/regtest-mp2-2/TEST_FILES
index 812cbfa9bf..282e42fcba 100644
--- a/tests/QS/regtest-mp2-2/TEST_FILES
+++ b/tests/QS/regtest-mp2-2/TEST_FILES
@@ -1,2 +1,2 @@
-Ne2.inp  11
-H2O-02.inp 11
+Ne2.inp                          11     1e-13
+H2O-02.inp                       11     8e-14
diff --git a/tests/QS/regtest-mp2-3/TEST_FILES b/tests/QS/regtest-mp2-3/TEST_FILES
index c05015fc94..b87f3b790f 100644
--- a/tests/QS/regtest-mp2-3/TEST_FILES
+++ b/tests/QS/regtest-mp2-3/TEST_FILES
@@ -1,2 +1,2 @@
-H2O-03.inp 11
-CH3_GPW.inp 11
+H2O-03.inp                       11     3e-13
+CH3_GPW.inp                      11     4e-13
diff --git a/tests/QS/regtest-mp2-4/TEST_FILES b/tests/QS/regtest-mp2-4/TEST_FILES
index 037c44f464..825d8af259 100644
--- a/tests/QS/regtest-mp2-4/TEST_FILES
+++ b/tests/QS/regtest-mp2-4/TEST_FILES
@@ -1,2 +1,2 @@
-H2O_NO_HFX.inp 11
-H2O_ADMM_MP2.inp 11 1E-12
+H2O_NO_HFX.inp                   11     7e-14
+H2O_ADMM_MP2.inp                 11     2e-12
diff --git a/tests/QS/regtest-mp2-stress/TEST_FILES b/tests/QS/regtest-mp2-stress/TEST_FILES
index 8544a508b4..d1850ffee0 100644
--- a/tests/QS/regtest-mp2-stress/TEST_FILES
+++ b/tests/QS/regtest-mp2-stress/TEST_FILES
@@ -1,2 +1,2 @@
 H2O_stress_an.inp 31 1E-5
-H2_stress_num.inp 31 1E-5
+H2_stress_num.inp                31     8e-05
diff --git a/tests/QS/regtest-optbas/TEST_FILES b/tests/QS/regtest-optbas/TEST_FILES
index fd4e079e85..042b720f3f 100644
--- a/tests/QS/regtest-optbas/TEST_FILES
+++ b/tests/QS/regtest-optbas/TEST_FILES
@@ -1,3 +1,3 @@
 # test optimize basis
-H2O-ref.inp 1
+H2O-ref.inp                       1     9e-14
 opt-1.inp 55
diff --git a/tests/QS/regtest-ot-1/TEST_FILES b/tests/QS/regtest-ot-1/TEST_FILES
index b1fdcf2858..afa6415d61 100644
--- a/tests/QS/regtest-ot-1/TEST_FILES
+++ b/tests/QS/regtest-ot-1/TEST_FILES
@@ -7,40 +7,40 @@ H2O.inp            1
 #restart
 H2O-OT-1.inp                      1     3e-14
 #restart
-H2O-OT-2.inp       1
+H2O-OT-2.inp                      1     7e-14
 #restart
 H2O-OT-3.inp       1
 #restart
-H2O-OT-4.inp       1
+H2O-OT-4.inp                      1     1e-13
 # restart, state selective
-H2O-OT-5.inp       1
+H2O-OT-5.inp                      1     5e-14
 # LSD 
-H2-1.inp           1
-H2-2.inp           1
-H2-3.inp           1
+H2-1.inp                          1     4e-13
+H2-2.inp                          1     8e-13
+H2-3.inp                          1     6e-13
 # more complete OT testing
-Ar-14.inp          1
-Ar-15.inp          1
-Ar-16.inp          1
-Ar-17.inp          1
-Ar-18.inp          1
-Ar-19.inp          1
-Ar-20.inp          1
-Ar-21.inp          1
+Ar-14.inp                         1     4e-13
+Ar-15.inp                         1     3e-13
+Ar-16.inp                         1     4e-13
+Ar-17.inp                         1     4e-13
+Ar-18.inp                         1     4e-13
+Ar-19.inp                         1     4e-13
+Ar-20.inp                         1     4e-13
+Ar-21.inp                         1     3e-13
 # OT and occuation
 H2O-7.inp          1
 H2O-8.inp                         1     2e-07
 H2O-9.inp                         1     3e-09
 H2O-10.inp                        1     2e-10
 # OT ASPC
-H2O-OT-ASPC-1.inp  1
-H2O-OT-ASPC-2.inp  1
+H2O-OT-ASPC-1.inp                 1     4e-14
+H2O-OT-ASPC-2.inp                 1     3e-14
 H2O-OT-ASPC-3.inp  1
-H2O-OT-ASPC-4.inp  1
-H2O-OT-ASPC-5.inp  1
+H2O-OT-ASPC-4.inp                 1     3e-14
+H2O-OT-ASPC-5.inp                 1     3e-14
 H2O-OT-ASPC-6.inp  1
 # Input driven basis set and potential
-H2O-bs_input.inp   1
+H2O-bs_input.inp                  1     4e-14
 # Mode selectiv vibrational analysis and intensities
 H2O-VIB-MS-INT-1.inp   21
 H2O-VIB-MS-INT-2.inp   21
@@ -48,5 +48,5 @@ vib-mixed.inp           8
 dip-mixed.inp          11
 vib-int-mixed.inp       8
 #broyden
-H2O-broyden-1.inp 1
-H2O-broyden-2.inp 1
+H2O-broyden-1.inp                 1     3e-14
+H2O-broyden-2.inp                 1     6e-14
diff --git a/tests/QS/regtest-ot-2/TEST_FILES b/tests/QS/regtest-ot-2/TEST_FILES
index 9033822800..6592223659 100644
--- a/tests/QS/regtest-ot-2/TEST_FILES
+++ b/tests/QS/regtest-ot-2/TEST_FILES
@@ -4,7 +4,7 @@
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
 # some tests of restricted
-N3-1.inp           1
+N3-1.inp                          1     1e-13
 N3-2.inp                          1     4e-12
 # some tests of SIC needs restarting from N3-1 for stability
 # teo: no need anymore due to the new way of handling the restart
@@ -18,13 +18,13 @@ N3-8.inp                          1     5e-12
 N3-9.inp                          1     8e-07
 N3-10.inp          1 1E-12
 # further sics
-H2O-sic-ad-1.inp   1
-H2O-sic-ad-2.inp   1
+H2O-sic-ad-1.inp                  1     6e-14
+H2O-sic-ad-2.inp                  1     4e-14
 # running H LSD
-H-1.inp            1
-H-2.inp            1
+H-1.inp                           1     1e-13
+H-2.inp                           1     8e-14
 # elec_conf
-H2O-1.inp          1
+H2O-1.inp                         1     5e-14
 # outer scf with FULL_ALL
 H2O.inp                           1     3e-13
 # different parallel distributions
@@ -33,19 +33,19 @@ H2O-dist-2.inp     1
 H2O-dist-3.inp     1
 H2O-dist-4.inp     1
 H2O-dist-5.inp     1
-H2O-dist-8.inp     1
-H2_trip.inp                       1     3e-14
-C-sic-1.inp                       1     2e-14
-C-sic-2.inp        1
+H2O-dist-8.inp                    1     8e-14
+H2_trip.inp                       1     2e-12
+C-sic-1.inp                       1     5e-13
+C-sic-2.inp                       1     1e-13
 # ot with fractional occupations
-C_ot.inp           1
+C_ot.inp                          1     1e-13
 # use of the fermi distribution
-C_fermi.inp        1
-Al_fermi.inp       1
+C_fermi.inp                       1     1e-13
+Al_fermi.inp                      1     5e-14
 # go through planned FFTs, but don't check results, they will depend on the selected plan
 H2O-plan-2.inp     0
 H2O-plan-3.inp     0
 #broyden minimization
 H2O-broy.inp       1
 #BASIC_SPATIAL_DISTRIBUTION test
-H2O-dist-17.inp     1
+H2O-dist-17.inp                   1     8e-14
diff --git a/tests/QS/regtest-ot-refine-2/TEST_FILES b/tests/QS/regtest-ot-refine-2/TEST_FILES
index ad82871a69..a7d921a389 100644
--- a/tests/QS/regtest-ot-refine-2/TEST_FILES
+++ b/tests/QS/regtest-ot-refine-2/TEST_FILES
@@ -4,15 +4,15 @@
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
 h2o_ot_chol_1.inp 1
-h2o_ot_chol_diis_1.inp 1
+h2o_ot_chol_diis_1.inp            1     2e-14
 h2o_ot_lwdn_1.inp 1
-h2o_ot_lwdn_diis_1.inp 1
+h2o_ot_lwdn_diis_1.inp            1     3e-14
 o2_ot_chol_1.inp 1
 o2_ot_chol_diis_1.inp 1
-o2_ot_lwdn_1.inp 1
+o2_ot_lwdn_1.inp                  1     5e-14
 o2_ot_lwdn_diis_1.inp 1
-h2o_ot_sparse_kinetic_1.inp 1
-o2_ot_sparse_kinetic_1.inp 1
+h2o_ot_sparse_kinetic_1.inp       1     1e-13
+o2_ot_sparse_kinetic_1.inp        1     5e-14
 h2o_ot_precond_2.inp 1
 h2o_ot_precond_3.inp 1
 h2o_ot_precond_5.inp 1
@@ -24,8 +24,8 @@ h2o_ot_precond_11.inp 1
 h2o_ot_precond_13.inp 1
 no_ot_precond_2.inp 1
 no_ot_precond_3.inp 1
-no_ot_precond_5.inp 1
-no_ot_precond_6.inp 1
+no_ot_precond_5.inp               1     3e-14
+no_ot_precond_6.inp               1     3e-14
 no_ot_precond_7.inp 1
 no_ot_precond_8.inp 1
 no_ot_precond_10.inp 1
diff --git a/tests/QS/regtest-ot-refine-3/TEST_FILES b/tests/QS/regtest-ot-refine-3/TEST_FILES
index eb7d7e4322..ed060de153 100644
--- a/tests/QS/regtest-ot-refine-3/TEST_FILES
+++ b/tests/QS/regtest-ot-refine-3/TEST_FILES
@@ -3,14 +3,14 @@
 # e.g. 0 means do not compare anything, running is enough
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
-h2o_ot_lwdn_on_the_fly_l1.inp 1
-h2o_ot_poly_on_the_fly_l1.inp 1
-o2_ot_lwdn_on_the_fly_l1.inp 1
-o2_ot_poly_on_the_fly_l1.inp 1
+h2o_ot_lwdn_on_the_fly_l1.inp     1     5e-14
+h2o_ot_poly_on_the_fly_l1.inp     1     6e-14
+o2_ot_lwdn_on_the_fly_l1.inp      1     2e-13
+o2_ot_poly_on_the_fly_l1.inp      1     2e-13
 h2o_ot_refine_3.inp 1
-h2o_ot_refine_4.inp 1
-o2_ot_refine_3.inp 1
-o2_ot_refine_4.inp 1
+h2o_ot_refine_4.inp               1     2e-14
+o2_ot_refine_3.inp                1     5e-13
+o2_ot_refine_4.inp                1     4e-14
 h2o_ot_precond_1_mp.inp           1     3e-09
 h2o_ot_precond_2_mp.inp           1     7e-10
 h2o_ot_precond_3_mp.inp           1     5e-09
diff --git a/tests/QS/regtest-ot-refine/TEST_FILES b/tests/QS/regtest-ot-refine/TEST_FILES
index 0a1c250f18..e77acb0709 100644
--- a/tests/QS/regtest-ot-refine/TEST_FILES
+++ b/tests/QS/regtest-ot-refine/TEST_FILES
@@ -3,12 +3,12 @@
 # e.g. 0 means do not compare anything, running is enough
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
-h2o_ot_refine_1.inp 1
-h2o_ot_refine_2.inp 1
-h2o_ot_refine_diis_1.inp 1
+h2o_ot_refine_1.inp               1     2e-14
+h2o_ot_refine_2.inp               1     2e-13
+h2o_ot_refine_diis_1.inp          1     7e-14
 h2o_ot_refine_diis_2.inp 1
-o2_ot_refine_1.inp 1
-o2_ot_refine_2.inp 1
-o2_ot_refine_diis_1.inp 1
-o2_ot_refine_diis_2.inp 1
+o2_ot_refine_1.inp                1     1e-13
+o2_ot_refine_2.inp                1     1e-13
+o2_ot_refine_diis_1.inp           1     8e-14
+o2_ot_refine_diis_2.inp           1     5e-14
 ethylene_l1_loc.inp 13
diff --git a/tests/QS/regtest-ot/TEST_FILES b/tests/QS/regtest-ot/TEST_FILES
index d4c5fd2433..b9b6cfa600 100644
--- a/tests/QS/regtest-ot/TEST_FILES
+++ b/tests/QS/regtest-ot/TEST_FILES
@@ -5,32 +5,32 @@
 #      for details see cp2k/tools/do_regtest
 # test mulliken constraints
 C2H4-init.inp      1
-C2H4.inp           1
+C2H4.inp                          1     3e-14
 # test ddapc constraints
-He2_ddapc_constraint.inp 1 1E-13
-He2_ddapc_constraint-2.inp        1     2e-08
-He2_ddapc_constraint-3.inp        1     8e-11
+He2_ddapc_constraint.inp          1     5e-13
+He2_ddapc_constraint-2.inp        1     4e-07
+He2_ddapc_constraint-3.inp        1     3e-10
 # outer scf loop none
-He2_none.inp 1
-He2_none_full_all.inp 1
+He2_none.inp                      1     3e-13
+He2_none_full_all.inp             1     1e-13
 He2_none_full_single.inp 1 1E-13
-He2_none_full_inverse.inp         1     2e-11
+He2_none_full_inverse.inp         1     3e-10
 He2_lumos.inp 0
 # check that ot / geo / mo / pdos can be used together
-H2O-geo-ot-evals.inp              1     4e-14
-H2O-geo-ot-mols.inp 1
-H2O-geo-ot-pdos.inp  1
-H2O-geo-pdos.inp  1
-H2O-geo-pdos_comp.inp 1
-H2O-geo-ot-pdos-lumo-comp.inp 1
-H2O-geo-pdos_comp_list.inp   1
+H2O-geo-ot-evals.inp              1     3e-13
+H2O-geo-ot-mols.inp               1     1e-13
+H2O-geo-ot-pdos.inp               1     2e-13
+H2O-geo-pdos.inp                  1     2e-14
+H2O-geo-pdos_comp.inp             1     3e-14
+H2O-geo-ot-pdos-lumo-comp.inp     1     3e-13
+H2O-geo-pdos_comp_list.inp        1     3e-14
 # sic ddapc decoupled
 sic_ddapc_rt.inp   1 1E-11
 # introduce coeff
-He2_ddapc_constraint-4.inp 1 1E-13
+He2_ddapc_constraint-4.inp        1     1e-12
 #test constraint on becke wight population
 H2-BECKE-MD.inp                   1     3e-04
-H2-diffBECKE-ET_coupling.inp 1
+H2-diffBECKE-ET_coupling.inp      1     1e-13
 # just energy with sic
 sic_energy.inp 1
 # elf
diff --git a/tests/QS/regtest-p-efield/TEST_FILES b/tests/QS/regtest-p-efield/TEST_FILES
index 8613eb5de9..e3fbb82f5d 100644
--- a/tests/QS/regtest-p-efield/TEST_FILES
+++ b/tests/QS/regtest-p-efield/TEST_FILES
@@ -4,7 +4,7 @@
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
 # test mulliken constraints
-H2O-field-gopt.inp 1 1E-12
-H2O-field-gopt-lsd.inp 1 1E-13
-H2O-field.inp 1
-H2O-field-lsd.inp 1
+H2O-field-gopt.inp                1     3e-11
+H2O-field-gopt-lsd.inp            1     3e-12
+H2O-field.inp                     1     2e-13
+H2O-field-lsd.inp                 1     4e-14
diff --git a/tests/QS/regtest-plus_u/TEST_FILES b/tests/QS/regtest-plus_u/TEST_FILES
index 18422c00c3..6874d5071b 100644
--- a/tests/QS/regtest-plus_u/TEST_FILES
+++ b/tests/QS/regtest-plus_u/TEST_FILES
@@ -1,18 +1,18 @@
 H2O-rks-diag.inp 24 1E-11
-H2O-rks-otcg.inp                 24     5e-09
+H2O-rks-otcg.inp                 24     1e-07
 H2O-uks-diag.inp                 24     3e-12
-H2O-uks-otcg.inp                 24     2e-09
+H2O-uks-otcg.inp                 24     1e-07
 H2O-rks-diag-mulliken.inp        24     2e-12
-H2O-rks-otcg-mulliken.inp        24     3e-09
+H2O-rks-otcg-mulliken.inp        24     3e-08
 H2O-uks-diag-mulliken.inp        24     5e-13
-H2O-uks-otcg-mulliken.inp        24     2e-10
+H2O-uks-otcg-mulliken.inp        24     2e-09
 H2O-rks-diag-lowdin.inp 24 1E-12
 H2O-rks-otcg-lowdin.inp 24
 H2O-uks-diag-lowdin.inp 24
-H2O-uks-otcg-lowdin.inp          24     2e-10
+H2O-uks-otcg-lowdin.inp          24     4e-09
 # U ramping
-H2O-rks-u_ramping.inp            24     2e-07
-H2O-uks-u_ramping.inp            24     7e-09
+H2O-rks-u_ramping.inp            24     1e-06
+H2O-uks-u_ramping.inp            24     7e-08
 # U ramping with reset
-H2O-rks-u_ramping_reset.inp      24     2e-07
-H2O-uks-u_ramping_reset.inp      24     7e-09
+H2O-rks-u_ramping_reset.inp      24     1e-06
+H2O-uks-u_ramping_reset.inp      24     1e-07
diff --git a/tests/QS/regtest-ri-laplace-mp2/TEST_FILES b/tests/QS/regtest-ri-laplace-mp2/TEST_FILES
index 503be6853d..63299ccc78 100644
--- a/tests/QS/regtest-ri-laplace-mp2/TEST_FILES
+++ b/tests/QS/regtest-ri-laplace-mp2/TEST_FILES
@@ -1,2 +1,2 @@
-RI_laplace_MP2_H2O.inp 11
-RI_laplace_MP2_CH3.inp 11
+RI_laplace_MP2_H2O.inp           11     8e-14
+RI_laplace_MP2_CH3.inp           11     4e-14
diff --git a/tests/QS/regtest-ri-mp2/TEST_FILES b/tests/QS/regtest-ri-mp2/TEST_FILES
index 22eaf8a966..9b26b50a09 100644
--- a/tests/QS/regtest-ri-mp2/TEST_FILES
+++ b/tests/QS/regtest-ri-mp2/TEST_FILES
@@ -1,4 +1,4 @@
-RI_MP2_H2O.inp 11
-RI_MP2_CH3.inp 11
+RI_MP2_H2O.inp                   11     8e-14
+RI_MP2_CH3.inp                   11     4e-14
 opt_basis_H2O.inp                57     9e-06
 opt_basis_O.inp                  57     9e-06
diff --git a/tests/QS/regtest-rtp/TEST_FILES b/tests/QS/regtest-rtp/TEST_FILES
index 3a1cafbf43..6b3965ac17 100644
--- a/tests/QS/regtest-rtp/TEST_FILES
+++ b/tests/QS/regtest-rtp/TEST_FILES
@@ -4,8 +4,8 @@
 #      1 compares the last total energy in the file
 #      for details see cp2k/tools/do_regtest
 # test mulliken constraints
-H2plus-rtp.inp 1
-H2plus-rtp-1.inp 1
+H2plus-rtp.inp                    1     4e-10
+H2plus-rtp-1.inp                  1     4e-10
 H2-rtp.inp 1
 H2-emd.inp 2
 H2plus-emd-1.inp 2
@@ -39,5 +39,5 @@ H2O-ls-rtp-bch.inp 1
 H2O-ls-rtp.inp 1
 H2O-ls-emd-scf-restart.inp 1
 H2O-ls-emd-mcweeny.inp 1
-emd-KG.inp                        1     1e-11
+emd-KG.inp                        1     2e-10
 H2O_rtp_dbcsr_gemm.inp 2
diff --git a/tests/QS/regtest-xc/TEST_FILES b/tests/QS/regtest-xc/TEST_FILES
index 99fe456daf..30c659c8e2 100644
--- a/tests/QS/regtest-xc/TEST_FILES
+++ b/tests/QS/regtest-xc/TEST_FILES
@@ -13,6 +13,6 @@
 1Ne_PBE0.inp                            35
 1Ne_PBEsol0.inp                         35
 1H2_PBE.inp                              1
-3H2_PBE.inp                              1
-1H2_PBEsol.inp                           1
-3H2_PBEsol.inp                    1     3e-14
+3H2_PBE.inp                       1     8e-13
+1H2_PBEsol.inp                    1     2e-13
+3H2_PBEsol.inp                    1     8e-14
diff --git a/tests/TAMC/regtest/TEST_FILES b/tests/TAMC/regtest/TEST_FILES
index 5d3824f90a..7ee6714790 100644
--- a/tests/TAMC/regtest/TEST_FILES
+++ b/tests/TAMC/regtest/TEST_FILES
@@ -5,4 +5,4 @@
 #      6 looks for the final energy of the MC simulation
 #      for details see cp2k/tools/do_regtest
 #
-dimer.inp                        11     7e-13
+dimer.inp                        11     2e-11