Input 30-stress.01-independent.inp

Commits > Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 > Run valgrind: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Stress (11) -4.769687688000000e-03 -4.769687688000000e-03 2.380000000000000e-11 0.000000000000000e+00 PASS
Stress (12) 3.897722949000000e-15 9.312622314999999e-15 1.060000000000000e-13 -5.414899365999999e-15 PASS
Stress (13) 1.798333167000000e-15 1.091940018000000e-14 1.060000000000000e-13 -9.121067013000000e-15 PASS
Stress (21) 3.897722949000000e-15 9.312622324999999e-15 1.060000000000000e-13 -5.414899375999999e-15 PASS
Stress (22) -4.769687688000000e-03 -4.769687688000000e-03 2.380000000000000e-11 0.000000000000000e+00 PASS
Stress (23) -1.075574320000000e-14 1.536795500000000e-15 1.280000000000000e-13 -1.229253870000000e-14 PASS
Stress (31) 1.798333167000000e-15 1.091940018000000e-14 1.060000000000000e-13 -9.121067013000000e-15 PASS
Stress (32) -1.075574320000000e-14 1.536795500000000e-15 1.280000000000000e-13 -1.229253870000000e-14 PASS
Stress (33) -4.769687688000000e-03 -4.769687687000000e-03 2.380000000000000e-11 -9.999995623233282e-13 PASS
Kinetic stress (11) 1.050163768000000e-02 1.050163768000000e-02 5.250000000000000e-11 -1.734723475976807e-18 PASS
Kinetic stress (12) -1.624200774000000e-15 6.450867639999999e-15 1.090000000000000e-13 -8.075068414000000e-15 PASS
Kinetic stress (13) -1.381339487000000e-15 3.159417150000000e-15 1.250000000000000e-13 -4.540756637000000e-15 PASS
Kinetic stress (21) -1.624200774000000e-15 6.450867639999999e-15 1.090000000000000e-13 -8.075068414000000e-15 PASS
Kinetic stress (22) 1.050163768000000e-02 1.050163768000000e-02 5.250000000000000e-11 -1.734723475976807e-18 PASS
Kinetic stress (23) 2.430981805000000e-14 3.094424110000000e-14 1.470000000000000e-13 -6.634423049999997e-15 PASS
Kinetic stress (31) -1.381339487000000e-15 3.159417150000000e-15 1.250000000000000e-13 -4.540756637000000e-15 PASS
Kinetic stress (32) 2.430981805000000e-14 3.094424110000000e-14 1.470000000000000e-13 -6.634423049999997e-15 PASS
Kinetic stress (33) 1.050163768000000e-02 1.050163768000000e-02 5.250000000000000e-11 -1.734723475976807e-18 PASS
Hartree stress (11) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
Hartree stress (12) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
Hartree stress (13) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
Hartree stress (21) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
Hartree stress (22) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
Hartree stress (23) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
Hartree stress (31) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
Hartree stress (32) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
Hartree stress (33) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
XC stress (11) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
XC stress (12) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
XC stress (13) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
XC stress (21) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
XC stress (22) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
XC stress (23) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
XC stress (31) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
XC stress (32) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
XC stress (33) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-10 0.000000000000000e+00 PASS
Ion-ion stress (11) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (12) -5.498299514000000e-19 -4.262944281000001e-19 1.360000000000000e-19 -1.235355233000000e-19 PASS
Ion-ion stress (13) 1.027344596000000e-19 1.081820885000000e-19 5.330000000000000e-20 -5.447628900000005e-21 PASS
Ion-ion stress (21) -5.498299514000000e-19 -4.263020714000000e-19 1.360000000000000e-19 -1.235278800000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) -8.112874089000001e-21 3.016593705000000e-20 1.770000000000000e-19 -3.827881113900000e-20 PASS
Ion-ion stress (31) 1.027344596000000e-19 1.081804141000000e-19 5.330000000000000e-20 -5.445954500000003e-21 PASS
Ion-ion stress (32) -8.112874089000001e-21 3.015916080000000e-20 1.770000000000000e-19 -3.827203488900000e-20 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Pseudopotential stress (11) 7.465789711000000e-03 7.465789711000000e-03 7.470000000000000e-17 0.000000000000000e+00 PASS
Pseudopotential stress (12) -2.273042865000000e-15 -5.808312165000000e-15 3.690000000000000e-14 3.535269300000000e-15 PASS
Pseudopotential stress (13) -4.172773238000000e-16 -5.812780799999994e-16 3.470000000000000e-14 1.640007561999994e-16 PASS
Pseudopotential stress (21) -2.273042865000000e-15 -5.808312165000000e-15 3.690000000000000e-14 3.535269300000000e-15 PASS
Pseudopotential stress (22) 7.465789711000000e-03 7.465789711000000e-03 7.470000000000000e-17 0.000000000000000e+00 PASS
Pseudopotential stress (23) -1.355437290000000e-14 -1.600006932000000e-14 3.760000000000000e-14 2.445696419999999e-15 PASS
Pseudopotential stress (31) -4.172773238000000e-16 -5.812780799999994e-16 3.470000000000000e-14 1.640007561999994e-16 PASS
Pseudopotential stress (32) -1.355437290000000e-14 -1.600006932000000e-14 3.760000000000000e-14 2.445696419999999e-15 PASS
Pseudopotential stress (33) 7.465789711000000e-03 7.465789711000000e-03 7.470000000000000e-17 0.000000000000000e+00 PASS
Pressure (H/b^3) 4.769687690000000e-03 4.769687690000001e-03 4.770000000000000e-17 -8.673617379884035e-19 PASS
Pressure (GPa) 1.403291077900000e+02 1.403291077950000e+02 5.500000000000000e-09 -5.000003966415534e-09 PASS
Compare to other inputs