Input 30-stress.02-gamma_point.inp
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run GCI_intel_omp_autotools: [intel2023a-serial]
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) | 1.665959409000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -1.100000019960135e-07 | PASS |
| Kinetic stress (11) | 9.361438594000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -2.000000859370132e-12 | PASS |
| Kinetic stress (12) | -4.440892099000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576822005790100e-15 | PASS |
| Kinetic stress (13) | 3.330669074000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.924463614092600e-15 | PASS |
| Kinetic stress (21) | -4.440892099000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576822005790100e-15 | PASS |
| Kinetic stress (22) | 9.361438594000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -2.000000859370132e-12 | PASS |
| Kinetic stress (23) | -1.665334537000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.080447338463000e-16 | PASS |
| Kinetic stress (31) | 3.330669074000000e-19 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.924463614092600e-15 | PASS |
| Kinetic stress (32) | -1.665334537000000e-19 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.080447338463000e-16 | 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) | -1.905019731000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.905019731000000e-20 | PASS |
| Hartree stress (13) | -1.490885007000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.490885007000000e-20 | PASS |
| Hartree stress (21) | -1.905019731000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.905019731000000e-20 | PASS |
| Hartree stress (22) | 8.859962913999999e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -1.000000104424414e-12 | PASS |
| Hartree stress (23) | -2.981770014000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.981770014000000e-20 | PASS |
| Hartree stress (31) | -1.490885007000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.490885007000000e-20 | PASS |
| Hartree stress (32) | -2.981770014000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.981770014000000e-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) | 6.149670955000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.149670955000000e-21 | PASS |
| XC stress (13) | 9.635529171000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 9.635529171000000e-20 | PASS |
| XC stress (21) | 6.149670955000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 6.149670955000000e-21 | PASS |
| XC stress (22) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (23) | -2.751480650000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.751480650000000e-20 | PASS |
| XC stress (31) | 9.635529171000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 9.635529171000000e-20 | PASS |
| XC stress (32) | -2.751480650000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.751480650000000e-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) | -4.523568278000000e-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) | -5.662478870000000e-04 | -5.662478899000000e-04 | 4.180000000000000e-12 | 2.900000010096215e-12 | PASS |
| Stress (12) | 7.614762566000000e-19 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.669714229434001e-16 | PASS |
| Stress (13) | -4.330955992000000e-19 | -4.453374438000000e-15 | 4.900000000000000e-15 | 4.452941342400800e-15 | PASS |
| Stress (21) | 7.614763095000000e-19 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.669714298904999e-16 | PASS |
| Stress (22) | -5.662478874000000e-04 | -5.662478899500000e-04 | 4.130000000000000e-12 | 2.549999924758573e-12 | PASS |
| Stress (23) | 1.056638276000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.394264853172400e-15 | PASS |
| Stress (31) | -4.330955727000000e-19 | -4.453374436000000e-15 | 4.900000000000000e-15 | 4.452941340427300e-15 | PASS |
| Stress (32) | 1.056638408000000e-19 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.394264853159200e-15 | PASS |
| Stress (33) | -5.662478874000000e-04 | -5.662478901500000e-04 | 4.230000000000000e-12 | 2.749999989011542e-12 | PASS |