diff --git a/tests/QS/regtest-debug-3/TEST_FILES.toml b/tests/QS/regtest-debug-3/TEST_FILES.toml index f5340fcf68..150a32d80b 100644 --- a/tests/QS/regtest-debug-3/TEST_FILES.toml +++ b/tests/QS/regtest-debug-3/TEST_FILES.toml @@ -6,8 +6,8 @@ "h2o_pbe0.inp" = [{matcher="M060", tol=1e-05, ref=0.411901963703}] "h2o_pbe0_admm.inp" = [{matcher="M060", tol=1e-05, ref=0.426369189904}] # -"h2o_HSE06.inp" = [{matcher="M060", tol=1e-05, ref=0.436263865396}] -"h2o_HSE06_admm.inp" = [{matcher="M060", tol=1e-05, ref=0.381688458912}] +"h2o_HSE06.inp" = [{matcher="M060", tol=1e-05, ref=0.445432754543}] +"h2o_HSE06_admm.inp" = [{matcher="M060", tol=1e-05, ref=0.442023635799}] #h2o_B88_mixcl.inp functional B88_LR 60 1e-05 0.000000000000E+00 #h2o_B88_mixcl_admm.inp functional B88_LR 60 1e-05 0.000000000000E+00 "h2o_pbe0TC.inp" = [{matcher="M060", tol=1e-05, ref=0.430192264863}] diff --git a/tests/QS/regtest-debug-3/h2o_HSE06.inp b/tests/QS/regtest-debug-3/h2o_HSE06.inp index 8330db4771..c57938acb0 100644 --- a/tests/QS/regtest-debug-3/h2o_HSE06.inp +++ b/tests/QS/regtest-debug-3/h2o_HSE06.inp @@ -21,7 +21,7 @@ &EFIELD &END EFIELD &MGRID - CUTOFF 200 + CUTOFF 150 &END MGRID &PRINT &MOMENTS ON @@ -80,7 +80,7 @@ &END PROPERTIES &SUBSYS &CELL - ABC [angstrom] 5.0 5.0 5.0 + ABC [angstrom] 4.0 4.0 4.0 PERIODIC NONE &END CELL &COORD diff --git a/tests/QS/regtest-debug-3/h2o_HSE06_admm.inp b/tests/QS/regtest-debug-3/h2o_HSE06_admm.inp index a96d0a06ff..c46674b366 100644 --- a/tests/QS/regtest-debug-3/h2o_HSE06_admm.inp +++ b/tests/QS/regtest-debug-3/h2o_HSE06_admm.inp @@ -28,7 +28,7 @@ &EFIELD &END EFIELD &MGRID - CUTOFF 200 + CUTOFF 150 &END MGRID &PRINT &MOMENTS ON @@ -87,7 +87,7 @@ &END PROPERTIES &SUBSYS &CELL - ABC [angstrom] 5.0 5.0 5.0 + ABC [angstrom] 4.0 4.0 4.0 PERIODIC NONE &END CELL &COORD diff --git a/tests/QS/regtest-tddfpt-4/TEST_FILES.toml b/tests/QS/regtest-tddfpt-4/TEST_FILES.toml index 15a43ace67..e821736011 100644 --- a/tests/QS/regtest-tddfpt-4/TEST_FILES.toml +++ b/tests/QS/regtest-tddfpt-4/TEST_FILES.toml @@ -12,10 +12,10 @@ {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.53343196E+00}] "test04.inp" = [{matcher="TDDFPT_Check_Energy", tol=5.0E-06, ref=0.102641E+01}, {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.53056622E+00}] -"test05.inp" = [{matcher="TDDFPT_Check_Energy", tol=5.0E-06, ref=0.101974E+01}, - {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.53306556E+00}] -"test06.inp" = [{matcher="TDDFPT_Check_Energy", tol=5.0E-06, ref=0.102171E+01}, - {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.52845348E+00}] +"test05.inp" = [{matcher="TDDFPT_Check_Energy", tol=5.0E-06, ref=0.101772E+01}, + {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.53053109E+00}] +"test06.inp" = [{matcher="TDDFPT_Check_Energy", tol=5.0E-06, ref=0.102040E+01}, + {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.51211743E+00}] "test07.inp" = [{matcher="TDDFPT_Check_Energy", tol=5.0E-06, ref=0.101792E+01}, {matcher="TDDFPT_Check_Osc_Strength", tol=1.0E-06, ref=0.55939759E+00}] "test08.inp" = [{matcher="TDDFPT_Check_Energy", tol=5.0E-06, ref=0.103120E+01}, diff --git a/tests/QS/regtest-tddfpt-4/test05.inp b/tests/QS/regtest-tddfpt-4/test05.inp index ca5adb36c1..a52cb822b3 100644 --- a/tests/QS/regtest-tddfpt-4/test05.inp +++ b/tests/QS/regtest-tddfpt-4/test05.inp @@ -11,8 +11,8 @@ STATE 1 &END EXCITED_STATES &MGRID - CUTOFF 200 - REL_CUTOFF 60 + CUTOFF 120 + REL_CUTOFF 50 &END MGRID &POISSON PERIODIC NONE diff --git a/tests/QS/regtest-tddfpt-4/test06.inp b/tests/QS/regtest-tddfpt-4/test06.inp index 8ac7bef886..7e9dbaa5e7 100644 --- a/tests/QS/regtest-tddfpt-4/test06.inp +++ b/tests/QS/regtest-tddfpt-4/test06.inp @@ -19,8 +19,8 @@ STATE 1 &END EXCITED_STATES &MGRID - CUTOFF 200 - REL_CUTOFF 40 + CUTOFF 120 + REL_CUTOFF 30 &END MGRID &POISSON PERIODIC NONE