Input 30-stress.02-gamma_point.inp

Commits > Commit fc620b07b8352e29314cbb5cb8516e7316f53ec5 > Run intel_mpi_omp_autotools: [intel2022a-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) 1.665959416000000e+01 1.665959420000000e+01 8.330000000000000e-07 -3.999999975690116e-08 PASS
Kinetic stress (11) 9.361438594000000e-03 9.361438596000001e-03 4.680000000000000e-11 -2.000000859370132e-12 PASS
Kinetic stress (12) -1.110223025000000e-18 -1.577266095000000e-15 1.740000000000000e-15 1.576155871975000e-15 PASS
Kinetic stress (13) -5.551115123000000e-20 -8.541147970000002e-16 5.350000000000000e-15 8.540592858487701e-16 PASS
Kinetic stress (21) -1.110223025000000e-18 -1.577266095000000e-15 1.740000000000000e-15 1.576155871975000e-15 PASS
Kinetic stress (22) 9.361438594000000e-03 9.361438596000001e-03 4.680000000000000e-11 -2.000000859370132e-12 PASS
Kinetic stress (23) 6.661338148000000e-19 -4.920391895000000e-16 6.550000000000000e-15 4.927053233148000e-16 PASS
Kinetic stress (31) -5.551115123000000e-20 -8.541147970000002e-16 5.350000000000000e-15 8.540592858487701e-16 PASS
Kinetic stress (32) 6.661338148000000e-19 -4.920391895000000e-16 6.550000000000000e-15 4.927053233148000e-16 PASS
Kinetic stress (33) 9.361438595000000e-03 9.361438596000001e-03 4.680000000000000e-11 -1.000000429685066e-12 PASS
Hartree stress (11) 8.859962908999999e-04 8.859962924000001e-04 4.430000000000000e-12 -1.500000102426513e-12 PASS
Hartree stress (12) -1.079511181000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.079511181000000e-19 PASS
Hartree stress (13) 2.484808345000000e-21 0.000000000000000e+00 1.000000000000000e-15 2.484808345000000e-21 PASS
Hartree stress (21) -1.079511181000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.079511181000000e-19 PASS
Hartree stress (22) 8.859962908999999e-04 8.859962924000001e-04 4.430000000000000e-12 -1.500000102426513e-12 PASS
Hartree stress (23) -2.208718529000000e-21 0.000000000000000e+00 1.000000000000000e-15 -2.208718529000000e-21 PASS
Hartree stress (31) 2.484808345000000e-21 0.000000000000000e+00 1.000000000000000e-15 2.484808345000000e-21 PASS
Hartree stress (32) -2.208718529000000e-21 0.000000000000000e+00 1.000000000000000e-15 -2.208718529000000e-21 PASS
Hartree stress (33) 8.859962908999999e-04 8.859962924000001e-04 4.430000000000000e-12 -1.500000102426513e-12 PASS
XC stress (11) -3.734425479000000e-03 -3.734425480000000e-03 1.870000000000000e-10 9.999999960041972e-13 PASS
XC stress (12) 3.485328820000000e-21 0.000000000000000e+00 1.000000000000000e-15 3.485328820000000e-21 PASS
XC stress (13) 3.485328820000000e-21 0.000000000000000e+00 1.000000000000000e-15 3.485328820000000e-21 PASS
XC stress (21) 3.485328820000000e-21 0.000000000000000e+00 1.000000000000000e-15 3.485328820000000e-21 PASS
XC stress (22) -3.734425479000000e-03 -3.734425480000000e-03 1.870000000000000e-10 9.999999960041972e-13 PASS
XC stress (23) 3.059715940000000e-20 0.000000000000000e+00 1.000000000000000e-15 3.059715940000000e-20 PASS
XC stress (31) 3.485328820000000e-21 0.000000000000000e+00 1.000000000000000e-15 3.485328820000000e-21 PASS
XC stress (32) 3.059715940000000e-20 0.000000000000000e+00 1.000000000000000e-15 3.059715940000000e-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) -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) -5.662478893000000e-04 -5.662478856000000e-04 8.850000000000000e-12 -3.700000050267660e-12 PASS
Stress (12) 1.570230784000000e-18 9.677328992000001e-16 1.060000000000000e-15 -9.661626684160001e-16 PASS
Stress (13) 1.021653623000000e-20 1.702185288000000e-15 1.030000000000000e-14 -1.702175071463770e-15 PASS
Stress (21) 1.570246070000000e-18 9.677329061999999e-16 1.060000000000000e-15 -9.661626601300000e-16 PASS
Stress (22) -5.662478893000000e-04 -5.662478852000001e-04 9.570000000000001e-12 -4.099999961933165e-12 PASS
Stress (23) -1.297964553000000e-18 1.173998455000000e-15 1.270000000000000e-14 -1.175296419553000e-15 PASS
Stress (31) 1.021819746000000e-20 1.702185288000000e-15 1.030000000000000e-14 -1.702175069802540e-15 PASS
Stress (32) -1.297950954000000e-18 1.173998455000000e-15 1.270000000000000e-14 -1.175296405954000e-15 PASS
Stress (33) -5.662478902000000e-04 -5.662478851000000e-04 9.680000000000001e-12 -5.099999957937362e-12 PASS
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