Input 30-stress.02-gamma_point.inp

Commits > Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.654916930000000e-04 5.654916880000001e-04 2.830000000000000e-11 4.999999980020986e-12 PASS
Pressure (GPa) 1.663734607000000e+01 1.663734593000000e+01 1.540000000000000e-07 1.400000009255109e-07 PASS
Kinetic stress (11) 9.361514554000000e-03 9.361514553000000e-03 4.680000000000000e-11 1.000000429685066e-12 PASS
Kinetic stress (12) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-15 0.000000000000000e+00 PASS
Kinetic stress (13) 8.746258925000000e-19 0.000000000000000e+00 1.000000000000000e-15 8.746258925000000e-19 PASS
Kinetic stress (21) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-15 0.000000000000000e+00 PASS
Kinetic stress (22) 9.361514554000000e-03 9.361514554000000e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Kinetic stress (23) 2.579859069000000e-19 0.000000000000000e+00 1.000000000000000e-15 2.579859069000000e-19 PASS
Kinetic stress (31) 8.746258925000000e-19 0.000000000000000e+00 1.000000000000000e-15 8.746258925000000e-19 PASS
Kinetic stress (32) 2.579859069000000e-19 0.000000000000000e+00 1.000000000000000e-15 2.579859069000000e-19 PASS
Kinetic stress (33) 9.361514554000000e-03 9.361514553000000e-03 4.680000000000000e-11 1.000000429685066e-12 PASS
Hartree stress (11) 8.860627335000000e-04 8.860627345999999e-04 4.430000000000000e-12 -1.099999973920573e-12 PASS
Hartree stress (12) -6.377674752000000e-20 0.000000000000000e+00 1.000000000000000e-15 -6.377674752000000e-20 PASS
Hartree stress (13) 1.325231117000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.325231117000000e-20 PASS
Hartree stress (21) -6.377674752000000e-20 0.000000000000000e+00 1.000000000000000e-15 -6.377674752000000e-20 PASS
Hartree stress (22) 8.860627335000000e-04 8.860627345999999e-04 4.430000000000000e-12 -1.099999973920573e-12 PASS
Hartree stress (23) -1.932628713000000e-21 0.000000000000000e+00 1.000000000000000e-15 -1.932628713000000e-21 PASS
Hartree stress (31) 1.325231117000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.325231117000000e-20 PASS
Hartree stress (32) -1.932628713000000e-21 0.000000000000000e+00 1.000000000000000e-15 -1.932628713000000e-21 PASS
Hartree stress (33) 8.860627335000000e-04 8.860627345999999e-04 4.430000000000000e-12 -1.099999973920573e-12 PASS
XC stress (11) -3.734288397000000e-03 -3.734288397500000e-03 1.650000000000000e-12 5.000006485234021e-13 PASS
XC stress (12) -2.584128115000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.584128115000000e-20 PASS
XC stress (13) -7.094409153000000e-20 0.000000000000000e+00 1.000000000000000e-15 -7.094409153000000e-20 PASS
XC stress (21) -2.584128115000000e-20 0.000000000000000e+00 1.000000000000000e-15 -2.584128115000000e-20 PASS
XC stress (22) -3.734288397000000e-03 -3.734288397500000e-03 1.650000000000000e-12 5.000006485234021e-13 PASS
XC stress (23) 4.141313486000000e-20 0.000000000000000e+00 1.000000000000000e-15 4.141313486000000e-20 PASS
XC stress (31) -7.094409153000000e-20 0.000000000000000e+00 1.000000000000000e-15 -7.094409153000000e-20 PASS
XC stress (32) 4.141313486000000e-20 0.000000000000000e+00 1.000000000000000e-15 4.141313486000000e-20 PASS
XC stress (33) -3.734288397000000e-03 -3.734288397500000e-03 1.650000000000000e-12 5.000006485234021e-13 PASS
Ion-ion stress (11) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (12) -4.523568278000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.523568278000000e-19 PASS
Ion-ion stress (13) 8.918692209000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.918692209000000e-20 PASS
Ion-ion stress (21) -4.523568807000000e-19 0.000000000000000e+00 1.000000000000000e-15 -4.523568807000000e-19 PASS
Ion-ion stress (22) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Ion-ion stress (23) 8.963465368000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.963465368000000e-20 PASS
Ion-ion stress (31) 8.918689560000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.918689560000000e-20 PASS
Ion-ion stress (32) 8.963464045000000e-20 0.000000000000000e+00 1.000000000000000e-15 8.963464045000000e-20 PASS
Ion-ion stress (33) -1.149183583000000e-02 -1.149183583000000e-02 5.750000000000000e-11 0.000000000000000e+00 PASS
Stress (11) -5.654916928000000e-04 -5.654916880999999e-04 5.280000000000000e-12 -4.700000046271857e-12 PASS
Stress (12) 3.574581378000000e-19 0.000000000000000e+00 1.000000000000000e-15 3.574581378000000e-19 PASS
Stress (13) -9.339781854000000e-19 0.000000000000000e+00 1.000000000000000e-15 -9.339781854000000e-19 PASS
Stress (21) 3.574581908000000e-19 0.000000000000000e+00 1.000000000000000e-15 3.574581908000000e-19 PASS
Stress (22) -5.654916927000000e-04 -5.654916881999999e-04 4.950000000000000e-12 -4.500000090439105e-12 PASS
Stress (23) -6.946021964000000e-19 0.000000000000000e+00 1.000000000000000e-15 -6.946021964000000e-19 PASS
Stress (31) -9.339781589000000e-19 0.000000000000000e+00 1.000000000000000e-15 -9.339781589000000e-19 PASS
Stress (32) -6.946021831000000e-19 0.000000000000000e+00 1.000000000000000e-15 -6.946021831000000e-19 PASS
Stress (33) -5.654916928000000e-04 -5.654916880000001e-04 5.060000000000000e-12 -4.799999915768016e-12 PASS
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