Input 30-stress.02-gamma_point.inp

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.662478900000000e-04 5.662478850000000e-04 2.830000000000000e-11 4.999999980020986e-12 PASS
Pressure (GPa) 1.665959415000000e+01 1.665959420000000e+01 8.330000000000000e-07 -5.000000058430487e-08 PASS
Kinetic stress (11) 9.361438595000000e-03 9.361438596000001e-03 4.680000000000000e-11 -1.000000429685066e-12 PASS
Kinetic stress (12) -8.465450563000000e-19 -1.577266095000000e-15 1.740000000000000e-15 1.576419549943700e-15 PASS
Kinetic stress (13) 3.330669074000000e-19 -8.541147970000002e-16 5.350000000000000e-15 8.544478639074001e-16 PASS
Kinetic stress (21) -8.465450563000000e-19 -1.577266095000000e-15 1.740000000000000e-15 1.576419549943700e-15 PASS
Kinetic stress (22) 9.361438595000000e-03 9.361438596000001e-03 4.680000000000000e-11 -1.000000429685066e-12 PASS
Kinetic stress (23) 7.771561172000000e-19 -4.920391895000000e-16 6.550000000000000e-15 4.928163456172000e-16 PASS
Kinetic stress (31) 3.330669074000000e-19 -8.541147970000002e-16 5.350000000000000e-15 8.544478639074001e-16 PASS
Kinetic stress (32) 7.771561172000000e-19 -4.920391895000000e-16 6.550000000000000e-15 4.928163456172000e-16 PASS
Kinetic stress (33) 9.361438595000000e-03 9.361438596000001e-03 4.680000000000000e-11 -1.000000429685066e-12 PASS
Hartree stress (11) 8.859962919000001e-04 8.859962924000001e-04 4.430000000000000e-12 -4.999999980020986e-13 PASS
Hartree stress (12) -3.738256110000000e-19 0.000000000000000e+00 1.000000000000000e-15 -3.738256110000000e-19 PASS
Hartree stress (13) 1.490885007000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.490885007000000e-20 PASS
Hartree stress (21) -3.738256110000000e-19 0.000000000000000e+00 1.000000000000000e-15 -3.738256110000000e-19 PASS
Hartree stress (22) 8.859962919000001e-04 8.859962924000001e-04 4.430000000000000e-12 -4.999999980020986e-13 PASS
Hartree stress (23) -2.484808345000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.484808345000000e-20 PASS
Hartree stress (31) 1.490885007000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.490885007000000e-20 PASS
Hartree stress (32) -2.484808345000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.484808345000000e-20 PASS
Hartree stress (33) 8.859962919000001e-04 8.859962924000001e-04 4.430000000000000e-12 -4.999999980020986e-13 PASS
XC stress (11) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
XC stress (12) 2.928383481000000e-20 0.000000000000000e+00 1.000000000000000e-15 2.928383481000000e-20 PASS
XC stress (13) -2.275786947000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.275786947000000e-20 PASS
XC stress (21) 2.928383481000000e-20 0.000000000000000e+00 1.000000000000000e-15 2.928383481000000e-20 PASS
XC stress (22) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-10 0.000000000000000e+00 PASS
XC stress (23) -6.488060618000000e-21 0.000000000000000e+00 1.000000000000000e-15 -6.488060618000000e-21 PASS
XC stress (31) -2.275786947000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.275786947000000e-20 PASS
XC stress (32) -6.488060618000000e-21 0.000000000000000e+00 1.000000000000000e-15 -6.488060618000000e-21 PASS
XC stress (33) -3.734425480000000e-03 -3.734425480000000e-03 1.870000000000000e-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) -3.027589048000000e-19 0.000000000000000e+00 1.000000000000000e-15 -3.027589048000000e-19 PASS
Ion-ion stress (13) 1.566172853000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.566172853000000e-19 PASS
Ion-ion stress (21) -3.027741915000000e-19 0.000000000000000e+00 1.000000000000000e-15 -3.027741915000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) 1.907308227000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.907308227000000e-19 PASS
Ion-ion stress (31) 1.566156241000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.566156241000000e-19 PASS
Ion-ion stress (32) 1.907172239000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.907172239000000e-19 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.662478896000000e-04 -5.662478856000000e-04 8.850000000000000e-12 -3.999999984016789e-12 PASS
Stress (12) 8.068256950000000e-19 9.677328992000001e-16 1.060000000000000e-15 -9.669260735050001e-16 PASS
Stress (13) -7.239058921000000e-19 1.702185288000000e-15 1.030000000000000e-14 -1.702909193892100e-15 PASS
Stress (21) 8.068409817000000e-19 9.677329061999999e-16 1.060000000000000e-15 -9.669260652182999e-16 PASS
Stress (22) -5.662478895000000e-04 -5.662478852000001e-04 9.570000000000001e-12 -4.299999917765918e-12 PASS
Stress (23) -1.311449656000000e-18 1.173998455000000e-15 1.270000000000000e-14 -1.175309904656000e-15 PASS
Stress (31) -7.239042309000000e-19 1.702185288000000e-15 1.030000000000000e-14 -1.702909192230900e-15 PASS
Stress (32) -1.311436057000000e-18 1.173998455000000e-15 1.270000000000000e-14 -1.175309891057000e-15 PASS
Stress (33) -5.662478895000000e-04 -5.662478851000000e-04 9.680000000000001e-12 -4.400000004102511e-12 PASS
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