Input 30-stress.02-gamma_point.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.654916860000000e-04 5.654916880000001e-04 2.830000000000000e-11 -2.000000100428612e-12 PASS
Pressure (GPa) 1.663734586000000e+01 1.663734593000000e+01 1.540000000000000e-07 -6.999999868639861e-08 PASS
Kinetic stress (11) 9.361514553000000e-03 9.361514553000000e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Kinetic stress (12) -1.484923295000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.484923295000000e-18 PASS
Kinetic stress (13) 1.276756478000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.276756478000000e-18 PASS
Kinetic stress (21) -1.484923295000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.484923295000000e-18 PASS
Kinetic stress (22) 9.361514553000000e-03 9.361514554000000e-03 4.680000000000000e-11 -1.000000429685066e-12 PASS
Kinetic stress (23) 5.551115123000000e-19 0.000000000000000e+00 1.000000000000000e-15 5.551115123000000e-19 PASS
Kinetic stress (31) 1.276756478000000e-18 0.000000000000000e+00 1.000000000000000e-15 1.276756478000000e-18 PASS
Kinetic stress (32) 5.551115123000000e-19 0.000000000000000e+00 1.000000000000000e-15 5.551115123000000e-19 PASS
Kinetic stress (33) 9.361514553000000e-03 9.361514553000000e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Hartree stress (11) 8.860627345000000e-04 8.860627345999999e-04 4.430000000000000e-12 -9.999997791637627e-14 PASS
Hartree stress (12) 5.853104101000000e-20 0.000000000000000e+00 1.000000000000000e-15 5.853104101000000e-20 PASS
Hartree stress (13) -9.663143562999999e-21 0.000000000000000e+00 1.000000000000000e-15 -9.663143562999999e-21 PASS
Hartree stress (21) 5.853104101000000e-20 0.000000000000000e+00 1.000000000000000e-15 5.853104101000000e-20 PASS
Hartree stress (22) 8.860627345000000e-04 8.860627345999999e-04 4.430000000000000e-12 -9.999997791637627e-14 PASS
Hartree stress (23) 4.969616690000000e-21 0.000000000000000e+00 1.000000000000000e-15 4.969616690000000e-21 PASS
Hartree stress (31) -9.663143562999999e-21 0.000000000000000e+00 1.000000000000000e-15 -9.663143562999999e-21 PASS
Hartree stress (32) 4.969616690000000e-21 0.000000000000000e+00 1.000000000000000e-15 4.969616690000000e-21 PASS
Hartree stress (33) 8.860627345000000e-04 8.860627345999999e-04 4.430000000000000e-12 -9.999997791637627e-14 PASS
XC stress (11) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (12) 4.781077471000000e-21 0.000000000000000e+00 1.000000000000000e-15 4.781077471000000e-21 PASS
XC stress (13) 6.515800947000000e-21 0.000000000000000e+00 1.000000000000000e-15 6.515800947000000e-21 PASS
XC stress (21) 4.781077471000000e-21 0.000000000000000e+00 1.000000000000000e-15 4.781077471000000e-21 PASS
XC stress (22) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (23) -2.414679174000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.414679174000000e-20 PASS
XC stress (31) 6.515800947000000e-21 0.000000000000000e+00 1.000000000000000e-15 6.515800947000000e-21 PASS
XC stress (32) -2.414679174000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.414679174000000e-20 PASS
XC stress (33) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
Ion-ion stress (11) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (12) -5.494876839000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.494876839000000e-19 PASS
Ion-ion stress (13) 1.030767272000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.030767272000000e-19 PASS
Ion-ion stress (21) -5.494876839000000e-19 0.000000000000000e+00 1.000000000000000e-15 -5.494876839000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) -7.770561860000000e-21 0.000000000000000e+00 1.000000000000000e-15 -7.770561860000000e-21 PASS
Ion-ion stress (31) 1.030767272000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.030767272000000e-19 PASS
Ion-ion stress (32) -7.770561860000000e-21 0.000000000000000e+00 1.000000000000000e-15 -7.770561860000000e-21 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.654916857000000e-04 -5.654916880999999e-04 5.280000000000000e-12 2.399999903673899e-12 PASS
Stress (12) 2.245547150000000e-18 0.000000000000000e+00 1.000000000000000e-15 2.245547150000000e-18 PASS
Stress (13) -1.847144971000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.847144971000000e-18 PASS
Stress (21) 2.245547150000000e-18 0.000000000000000e+00 1.000000000000000e-15 2.245547150000000e-18 PASS
Stress (22) -5.654916860000000e-04 -5.654916881999999e-04 4.950000000000000e-12 2.199999947841147e-12 PASS
Stress (23) -8.456568374000000e-19 0.000000000000000e+00 1.000000000000000e-15 -8.456568374000000e-19 PASS
Stress (31) -1.847144971000000e-18 0.000000000000000e+00 1.000000000000000e-15 -1.847144971000000e-18 PASS
Stress (32) -8.456568374000000e-19 0.000000000000000e+00 1.000000000000000e-15 -8.456568374000000e-19 PASS
Stress (33) -5.654916855999999e-04 -5.654916880000001e-04 5.060000000000000e-12 2.400000120514334e-12 PASS
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