Input 30-stress.02-gamma_point.inp
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run GCI_foss_mpi_min_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478870000000e-04 | 5.662478900000000e-04 | 4.400000000000000e-12 | -2.999999988012592e-12 | PASS |
| Pressure (GPa) | 1.665959407000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -1.300000000981072e-07 | PASS |
| Kinetic stress (11) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (12) | 1.387778781000000e-20 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577279972787810e-15 | PASS |
| Kinetic stress (13) | 4.440892099000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.924352591790100e-15 | PASS |
| Kinetic stress (21) | 1.387778781000000e-20 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577279972787810e-15 | PASS |
| Kinetic stress (22) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (23) | -3.330669074000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.078782003926000e-16 | PASS |
| Kinetic stress (31) | 4.440892099000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.924352591790100e-15 | PASS |
| Kinetic stress (32) | -3.330669074000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.078782003926000e-16 | PASS |
| Kinetic stress (33) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Hartree stress (11) | 8.859962919000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.999999980020986e-13 | PASS |
| Hartree stress (12) | 9.055745968000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 9.055745968000000e-20 | PASS |
| Hartree stress (13) | -1.021532320000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.021532320000000e-20 | PASS |
| Hartree stress (21) | 9.055745968000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 9.055745968000000e-20 | PASS |
| Hartree stress (22) | 8.859962919000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.999999980020986e-13 | PASS |
| Hartree stress (23) | 1.380449080000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.380449080000000e-20 | PASS |
| Hartree stress (31) | -1.021532320000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.021532320000000e-20 | PASS |
| Hartree stress (32) | 1.380449080000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.380449080000000e-20 | PASS |
| Hartree stress (33) | 8.859962919000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.999999980020986e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | 9.818170649999999e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 9.818170649999999e-21 | PASS |
| XC stress (13) | -1.923844757000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.923844757000000e-20 | PASS |
| XC stress (21) | 9.818170649999999e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 9.818170649999999e-21 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 7.026350056000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 7.026350056000000e-21 | PASS |
| XC stress (31) | -1.923844757000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.923844757000000e-20 | PASS |
| XC stress (32) | 7.026350056000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 7.026350056000000e-21 | PASS |
| XC stress (33) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | 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) | -5.662478865000000e-04 | -5.662478899000000e-04 | 4.180000000000000e-12 | 3.400000008098314e-12 | PASS |
| Stress (12) | 1.925664602000000e-19 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.675403327398002e-16 | PASS |
| Stress (13) | -9.531822866999999e-19 | -4.453374438000000e-15 | 4.900000000000000e-15 | 4.452421255713300e-15 | PASS |
| Stress (21) | 1.925800131000000e-19 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.675403261868999e-16 | PASS |
| Stress (22) | -5.662478867000000e-04 | -5.662478899500000e-04 | 4.130000000000000e-12 | 3.249999987013641e-12 | PASS |
| Stress (23) | 5.172132386000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.393853303761400e-15 | PASS |
| Stress (31) | -9.531805989999999e-19 | -4.453374436000000e-15 | 4.900000000000000e-15 | 4.452421255401000e-15 | PASS |
| Stress (32) | 5.172131924000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.393853303807600e-15 | PASS |
| Stress (33) | -5.662478865000000e-04 | -5.662478901500000e-04 | 4.230000000000000e-12 | 3.650000007099363e-12 | PASS |