Input 30-stress.02-gamma_point.inp

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Run foss_cmake: [foss2022a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.662478890000000e-04 5.662478850000000e-04 2.830000000000000e-11 3.999999984016789e-12 PASS
Pressure (GPa) 1.665959414000000e+01 1.665959420000000e+01 8.330000000000000e-07 -6.000000141170858e-08 PASS
Kinetic stress (11) 9.361438595000000e-03 9.361438596000001e-03 4.680000000000000e-11 -1.000000429685066e-12 PASS
Kinetic stress (12) -2.790431460000000e-19 -1.577266095000000e-15 1.740000000000000e-15 1.576987051854000e-15 PASS
Kinetic stress (13) -6.992107766000000e-16 -8.541147970000002e-16 5.350000000000000e-15 1.549040204000002e-16 PASS
Kinetic stress (21) -2.790431460000000e-19 -1.577266095000000e-15 1.740000000000000e-15 1.576987051854000e-15 PASS
Kinetic stress (22) 9.361438594000000e-03 9.361438596000001e-03 4.680000000000000e-11 -2.000000859370132e-12 PASS
Kinetic stress (23) -6.444006028000000e-15 -4.920391895000000e-16 6.550000000000000e-15 -5.951966838500000e-15 PASS
Kinetic stress (31) -6.992107766000000e-16 -8.541147970000002e-16 5.350000000000000e-15 1.549040204000002e-16 PASS
Kinetic stress (32) -6.444006028000000e-15 -4.920391895000000e-16 6.550000000000000e-15 -5.951966838500000e-15 PASS
Kinetic stress (33) 9.361438594000000e-03 9.361438596000001e-03 4.680000000000000e-11 -2.000000859370132e-12 PASS
Hartree stress (11) 8.859962913999999e-04 8.859962924000001e-04 4.430000000000000e-12 -1.000000104424414e-12 PASS
Hartree stress (12) -2.689114809000000e-19 0.000000000000000e+00 1.000000000000000e-15 -2.689114809000000e-19 PASS
Hartree stress (13) 3.036987977000000e-21 0.000000000000000e+00 1.000000000000000e-15 3.036987977000000e-21 PASS
Hartree stress (21) -2.689114809000000e-19 0.000000000000000e+00 1.000000000000000e-15 -2.689114809000000e-19 PASS
Hartree stress (22) 8.859962913999999e-04 8.859962924000001e-04 4.430000000000000e-12 -1.000000104424414e-12 PASS
Hartree stress (23) -1.960237694000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.960237694000000e-20 PASS
Hartree stress (31) 3.036987977000000e-21 0.000000000000000e+00 1.000000000000000e-15 3.036987977000000e-21 PASS
Hartree stress (32) -1.960237694000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.960237694000000e-20 PASS
Hartree stress (33) 8.859962913999999e-04 8.859962924000001e-04 4.430000000000000e-12 -1.000000104424414e-12 PASS
XC stress (11) -3.734425479000000e-03 -3.734425480000000e-03 1.870000000000000e-10 9.999999960041972e-13 PASS
XC stress (12) 1.160862889000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.160862889000000e-19 PASS
XC stress (13) -5.521765432000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.521765432000000e-20 PASS
XC stress (21) 1.160862889000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.160862889000000e-19 PASS
XC stress (22) -3.734425479000000e-03 -3.734425480000000e-03 1.870000000000000e-10 9.999999960041972e-13 PASS
XC stress (23) 6.553536265000000e-20 0.000000000000000e+00 1.000000000000000e-15 6.553536265000000e-20 PASS
XC stress (31) -5.521765432000000e-20 0.000000000000000e+00 1.000000000000000e-15 -5.521765432000000e-20 PASS
XC stress (32) 6.553536265000000e-20 0.000000000000000e+00 1.000000000000000e-15 6.553536265000000e-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) -4.559343973000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.559343973000000e-19 PASS
Ion-ion stress (13) 5.974689174000000e-20 0.000000000000000e+00 1.000000000000000e-15 5.974689174000000e-20 PASS
Ion-ion stress (21) -4.559479503000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.559479503000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) -1.303989486000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.303989486000000e-19 PASS
Ion-ion stress (31) 5.974520406000000e-20 0.000000000000000e+00 1.000000000000000e-15 5.974520406000000e-20 PASS
Ion-ion stress (32) -1.303989023000000e-19 0.000000000000000e+00 1.000000000000000e-15 -1.303989023000000e-19 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.662478894000000e-04 -5.662478856000000e-04 8.850000000000000e-12 -3.800000028184036e-12 PASS
Stress (12) -4.286621307000000e-19 9.677328992000001e-16 1.060000000000000e-15 -9.681615613307001e-16 PASS
Stress (13) 1.387876153000000e-15 1.702185288000000e-15 1.030000000000000e-14 -3.143091349999999e-16 PASS
Stress (21) -4.286485778000000e-19 9.677329061999999e-16 1.060000000000000e-15 -9.681615547778000e-16 PASS
Stress (22) -5.662478892000000e-04 -5.662478852000001e-04 8.640000000000000e-12 -3.999999875596572e-12 PASS
Stress (23) 1.269313883000000e-14 1.173998455000000e-15 1.270000000000000e-14 1.151914037500000e-14 PASS
Stress (31) 1.387876155000000e-15 1.702185288000000e-15 1.030000000000000e-14 -3.143091329999999e-16 PASS
Stress (32) 1.269313883000000e-14 1.173998455000000e-15 1.270000000000000e-14 1.151914037500000e-14 PASS
Stress (33) -5.662478886000000e-04 -5.662478851000000e-04 8.800000000000000e-12 -3.499999986014690e-12 PASS
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