Input 30-stress.02-gamma_point.inp

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Pressure (H/b^3) 5.654916860000000e-04 5.654916880000001e-04 2.830000000000000e-11 -2.000000100428612e-12 PASS
Pressure (GPa) 1.663734588000000e+01 1.663734593000000e+01 1.540000000000000e-07 -4.999999703159119e-08 PASS
Kinetic stress (11) 9.361514553000000e-03 9.361514553000000e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Kinetic stress (12) 3.053113318000000e-19 0.000000000000000e+00 1.000000000000000e-15 3.053113318000000e-19 PASS
Kinetic stress (13) 4.440892099000000e-19 0.000000000000000e+00 1.000000000000000e-15 4.440892099000000e-19 PASS
Kinetic stress (21) 3.053113318000000e-19 0.000000000000000e+00 1.000000000000000e-15 3.053113318000000e-19 PASS
Kinetic stress (22) 9.361514553000000e-03 9.361514554000000e-03 4.680000000000000e-11 -1.000000429685066e-12 PASS
Kinetic stress (23) 1.110223025000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.110223025000000e-19 PASS
Kinetic stress (31) 4.440892099000000e-19 0.000000000000000e+00 1.000000000000000e-15 4.440892099000000e-19 PASS
Kinetic stress (32) 1.110223025000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.110223025000000e-19 PASS
Kinetic stress (33) 9.361514553000000e-03 9.361514553000000e-03 4.680000000000000e-11 0.000000000000000e+00 PASS
Hartree stress (11) 8.860627347000000e-04 8.860627345999999e-04 4.430000000000000e-12 1.000000863365935e-13 PASS
Hartree stress (12) 1.220316987000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.220316987000000e-19 PASS
Hartree stress (13) -6.073975954000000e-21 0.000000000000000e+00 1.000000000000000e-15 -6.073975954000000e-21 PASS
Hartree stress (21) 1.220316987000000e-19 0.000000000000000e+00 1.000000000000000e-15 1.220316987000000e-19 PASS
Hartree stress (22) 8.860627347000000e-04 8.860627345999999e-04 4.430000000000000e-12 1.000000863365935e-13 PASS
Hartree stress (23) 1.325231117000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.325231117000000e-20 PASS
Hartree stress (31) -6.073975954000000e-21 0.000000000000000e+00 1.000000000000000e-15 -6.073975954000000e-21 PASS
Hartree stress (32) 1.325231117000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.325231117000000e-20 PASS
Hartree stress (33) 8.860627347000000e-04 8.860627345999999e-04 4.430000000000000e-12 1.000000863365935e-13 PASS
XC stress (11) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (12) -3.226772013000000e-21 0.000000000000000e+00 1.000000000000000e-15 -3.226772013000000e-21 PASS
XC stress (13) -1.623719808000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.623719808000000e-20 PASS
XC stress (21) -3.226772013000000e-21 0.000000000000000e+00 1.000000000000000e-15 -3.226772013000000e-21 PASS
XC stress (22) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-13 PASS
XC stress (23) -3.274417616000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.274417616000000e-20 PASS
XC stress (31) -1.623719808000000e-20 0.000000000000000e+00 1.000000000000000e-15 -1.623719808000000e-20 PASS
XC stress (32) -3.274417616000000e-20 0.000000000000000e+00 1.000000000000000e-15 -3.274417616000000e-20 PASS
XC stress (33) -3.734288398000000e-03 -3.734288397500000e-03 1.650000000000000e-12 -4.999993474807951e-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) -5.654916863000000e-04 -5.654916880999999e-04 5.280000000000000e-12 1.799999927755425e-12 PASS
Stress (12) 1.561570286000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.561570286000000e-20 PASS
Stress (13) -8.213351671000000e-19 0.000000000000000e+00 1.000000000000000e-15 -8.213351671000000e-19 PASS
Stress (21) 1.562925580000000e-20 0.000000000000000e+00 1.000000000000000e-15 1.562925580000000e-20 PASS
Stress (22) -5.654916866000001e-04 -5.654916881999999e-04 4.950000000000000e-12 1.599999863502455e-12 PASS
Stress (23) 4.121956384000000e-19 0.000000000000000e+00 1.000000000000000e-15 4.121956384000000e-19 PASS
Stress (31) -8.213334794000000e-19 0.000000000000000e+00 1.000000000000000e-15 -8.213334794000000e-19 PASS
Stress (32) 4.121955921000000e-19 0.000000000000000e+00 1.000000000000000e-15 4.121955921000000e-19 PASS
Stress (33) -5.654916863000000e-04 -5.654916880000001e-04 5.060000000000000e-12 1.700000058259266e-12 PASS
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