Input 30-stress.02-gamma_point.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.662478930000000e-04 5.662478850000000e-04 2.830000000000000e-11 7.999999968033578e-12 PASS
Pressure (GPa) 1.665959426000000e+01 1.665959420000000e+01 8.330000000000000e-07 5.999999785899490e-08 PASS
Kinetic stress (11) 9.361438596000001e-03 9.361438596000001e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Kinetic stress (12) -6.317049748000000e-18 -1.577266095000000e-15 1.740000000000000e-15 1.570949045252000e-15 PASS
Kinetic stress (13) 1.272719994000000e-15 -8.541147970000002e-16 5.350000000000000e-15 2.126834791000000e-15 PASS
Kinetic stress (21) -6.317049748000000e-18 -1.577266095000000e-15 1.740000000000000e-15 1.570949045252000e-15 PASS
Kinetic stress (22) 9.361438595000000e-03 9.361438596000001e-03 4.680000000000000e-11 -1.000000429685066e-12 PASS
Kinetic stress (23) 5.459927649000000e-15 -4.920391895000000e-16 6.550000000000000e-15 5.951966838500000e-15 PASS
Kinetic stress (31) 1.272719994000000e-15 -8.541147970000002e-16 5.350000000000000e-15 2.126834791000000e-15 PASS
Kinetic stress (32) 5.459927649000000e-15 -4.920391895000000e-16 6.550000000000000e-15 5.951966838500000e-15 PASS
Kinetic stress (33) 9.361438595000000e-03 9.361438596000001e-03 4.680000000000000e-11 -1.000000429685066e-12 PASS
Hartree stress (11) 8.859962917000000e-04 8.859962924000001e-04 4.430000000000000e-12 -7.000000622550684e-13 PASS
Hartree stress (12) 6.823899073000001e-20 0.000000000000000e+00 1.000000000000000e-15 6.823899073000001e-20 PASS
Hartree stress (13) -1.750467244000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.750467244000000e-20 PASS
Hartree stress (21) 6.823899073000001e-20 0.000000000000000e+00 1.000000000000000e-15 6.823899073000001e-20 PASS
Hartree stress (22) 8.859962917000000e-04 8.859962924000001e-04 4.430000000000000e-12 -7.000000622550684e-13 PASS
Hartree stress (23) -9.417390332000000e-21 0.000000000000000e+00 1.000000000000000e-15 -9.417390332000000e-21 PASS
Hartree stress (31) -1.750467244000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.750467244000000e-20 PASS
Hartree stress (32) -9.417390332000000e-21 0.000000000000000e+00 1.000000000000000e-15 -9.417390332000000e-21 PASS
Hartree stress (33) 8.859962917000000e-04 8.859962924000001e-04 4.430000000000000e-12 -7.000000622550684e-13 PASS
XC stress (11) -3.734425479000000e-03 -3.734425480000000e-03 1.870000000000000e-10 9.999999960041972e-13 PASS
XC stress (12) -6.418174192000000e-21 0.000000000000000e+00 1.000000000000000e-15 -6.418174192000000e-21 PASS
XC stress (13) -6.886821933000000e-20 0.000000000000000e+00 1.000000000000000e-15 -6.886821933000000e-20 PASS
XC stress (21) -6.418174192000000e-21 0.000000000000000e+00 1.000000000000000e-15 -6.418174192000000e-21 PASS
XC stress (22) -3.734425479000000e-03 -3.734425480000000e-03 1.870000000000000e-10 9.999999960041972e-13 PASS
XC stress (23) 2.093675484000000e-20 0.000000000000000e+00 1.000000000000000e-15 2.093675484000000e-20 PASS
XC stress (31) -6.886821933000000e-20 0.000000000000000e+00 1.000000000000000e-15 -6.886821933000000e-20 PASS
XC stress (32) 2.093675484000000e-20 0.000000000000000e+00 1.000000000000000e-15 2.093675484000000e-20 PASS
XC stress (33) -3.734425479000000e-03 -3.734425480000000e-03 1.870000000000000e-10 9.999999960041972e-13 PASS
Ion-ion stress (11) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (12) -4.451112881000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.451112881000000e-19 PASS
Ion-ion stress (13) 6.623349638000000e-20 0.000000000000000e+00 1.000000000000000e-15 6.623349638000000e-20 PASS
Ion-ion stress (21) -4.451248145000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.451248145000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) -1.229906970000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.229906970000000e-19 PASS
Ion-ion stress (31) 6.623180208000000e-20 0.000000000000000e+00 1.000000000000000e-15 6.623180208000000e-20 PASS
Ion-ion stress (32) -1.229906706000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.229906706000000e-19 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.662478936000000e-04 -5.662478856000000e-04 8.850000000000000e-12 -7.999999968033578e-12 PASS
Stress (12) 1.246100818000000e-17 9.677328992000001e-16 1.060000000000000e-15 -9.552718910200000e-16 PASS
Stress (13) -2.475800725000000e-15 1.702185288000000e-15 1.030000000000000e-14 -4.177986013000000e-15 PASS
Stress (21) 1.246102170000000e-17 9.677329061999999e-16 1.060000000000000e-15 -9.552718844999999e-16 PASS
Stress (22) -5.662478931000000e-04 -5.662478852000001e-04 8.640000000000000e-12 -7.899999881696984e-12 PASS
Stress (23) -1.034514192000000e-14 1.173998455000000e-15 1.270000000000000e-14 -1.151914037500000e-14 PASS
Stress (31) -2.475800724000000e-15 1.702185288000000e-15 1.030000000000000e-14 -4.177986012000000e-15 PASS
Stress (32) -1.034514192000000e-14 1.173998455000000e-15 1.270000000000000e-14 -1.151914037500000e-14 PASS
Stress (33) -5.662478931000000e-04 -5.662478851000000e-04 8.800000000000000e-12 -7.999999968033578e-12 PASS
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