Input 30-stress.02-gamma_point.inp
Commits >
Commit 08a5f74afd5d598cfac916cc3bce9be78be030c2 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478910000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 5.999999976025183e-12 | PASS |
| Pressure (GPa) | 1.665959419000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -1.000000082740371e-08 | PASS |
| Kinetic stress (11) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (12) | -9.992007222000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576266894277800e-15 | PASS |
| Kinetic stress (13) | 1.137978600000000e-18 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.552527756000001e-16 | PASS |
| Kinetic stress (21) | -9.992007222000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576266894277800e-15 | PASS |
| Kinetic stress (22) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (23) | -8.881784197000001e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.911510110803000e-16 | PASS |
| Kinetic stress (31) | 1.137978600000000e-18 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.552527756000001e-16 | PASS |
| Kinetic stress (32) | -8.881784197000001e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.911510110803000e-16 | PASS |
| Kinetic stress (33) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Hartree stress (11) | 8.859962916000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -8.000000401714447e-13 | PASS |
| Hartree stress (12) | 2.013452285000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.013452285000000e-20 | PASS |
| Hartree stress (13) | -3.070934524000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.070934524000000e-20 | PASS |
| Hartree stress (21) | 2.013452285000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.013452285000000e-20 | PASS |
| Hartree stress (22) | 8.859962916000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -8.000000401714447e-13 | PASS |
| Hartree stress (23) | 1.070412717000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.070412717000000e-20 | PASS |
| Hartree stress (31) | -3.070934524000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.070934524000000e-20 | PASS |
| Hartree stress (32) | 1.070412717000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.070412717000000e-20 | PASS |
| Hartree stress (33) | 8.859962916000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -8.000000401714447e-13 | PASS |
| XC stress (11) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (12) | -2.729857419000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.729857419000000e-20 | PASS |
| XC stress (13) | -2.382912723000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.382912723000000e-20 | PASS |
| XC stress (21) | -2.729857419000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.729857419000000e-20 | PASS |
| XC stress (22) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (23) | 3.252633671000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.252633671000000e-21 | PASS |
| XC stress (31) | -2.382912723000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.382912723000000e-20 | PASS |
| XC stress (32) | 3.252633671000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.252633671000000e-21 | 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) | -5.387728891000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.387728891000000e-19 | PASS |
| Ion-ion stress (13) | 1.094548984000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.094548984000000e-19 | PASS |
| Ion-ion stress (21) | -5.387728891000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.387728891000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -4.706841641000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.706841641000000e-22 | PASS |
| Ion-ion stress (31) | 1.094548984000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.094548984000000e-19 | PASS |
| Ion-ion stress (32) | -4.706841641000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.706841641000000e-22 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478908000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -5.200000044273956e-12 | PASS |
| Stress (12) | 2.041423591000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.656914756090001e-16 | PASS |
| Stress (13) | -1.100938398000000e-18 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.703286226398000e-15 | PASS |
| Stress (21) | 2.041423591000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.656914826089999e-16 | PASS |
| Stress (22) | -5.662478911000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -5.899999889688590e-12 | PASS |
| Stress (23) | 8.016418581000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173196813141900e-15 | PASS |
| Stress (31) | -1.100938398000000e-18 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.703286226398000e-15 | PASS |
| Stress (32) | 8.016418581000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.173196813141900e-15 | PASS |
| Stress (33) | -5.662478906000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -5.499999978023085e-12 | PASS |