Input 30-stress.02-gamma_point.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_intel_omp_autotools: [intel2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478910000000e-04 | 5.662478900000000e-04 | 4.400000000000000e-12 | 9.999999960041972e-13 | PASS |
| Pressure (GPa) | 1.665959420000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | 0.000000000000000e+00 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | -3.330669074000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576933028092600e-15 | PASS |
| Kinetic stress (13) | -8.326672685000000e-20 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.924879947726850e-15 | PASS |
| Kinetic stress (21) | -3.330669074000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.576933028092600e-15 | PASS |
| Kinetic stress (22) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (23) | 1.068589661000000e-18 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.092798569610000e-16 | PASS |
| Kinetic stress (31) | -8.326672685000000e-20 | 4.924796681000000e-15 | 5.420000000000000e-15 | -4.924879947726850e-15 | PASS |
| Kinetic stress (32) | 1.068589661000000e-18 | -7.082112673000000e-16 | 7.800000000000000e-16 | 7.092798569610000e-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) | -1.711756860000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.711756860000000e-20 | PASS |
| Hartree stress (13) | -2.263936492000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.263936492000000e-20 | PASS |
| Hartree stress (21) | -1.711756860000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.711756860000000e-20 | PASS |
| Hartree stress (22) | 8.859962919000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.999999980020986e-13 | PASS |
| Hartree stress (23) | 5.245706506000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.245706506000000e-21 | PASS |
| Hartree stress (31) | -2.263936492000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.263936492000000e-20 | PASS |
| Hartree stress (32) | 5.245706506000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 5.245706506000000e-21 | PASS |
| Hartree stress (33) | 8.859962919000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.999999980020986e-13 | PASS |
| XC stress (11) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (12) | -8.826422124000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -8.826422124000000e-20 | PASS |
| XC stress (13) | -1.540583524000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.540583524000000e-20 | PASS |
| XC stress (21) | -8.826422124000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -8.826422124000000e-20 | PASS |
| XC stress (22) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (23) | -6.680379448000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.680379448000000e-20 | PASS |
| XC stress (31) | -1.540583524000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.540583524000000e-20 | PASS |
| XC stress (32) | -6.680379448000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -6.680379448000000e-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) | -5.662478915000000e-04 | -5.662478899000000e-04 | 4.180000000000000e-12 | -1.599999971922672e-12 | PASS |
| Stress (12) | 8.818139617000000e-19 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.668510852383000e-16 | PASS |
| Stress (13) | 2.941339287000000e-19 | -4.453374438000000e-15 | 4.900000000000000e-15 | 4.453668571928700e-15 | PASS |
| Stress (21) | 8.818140146000001e-19 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.668510921854000e-16 | PASS |
| Stress (22) | -5.662478909000000e-04 | -5.662478899500000e-04 | 4.130000000000000e-12 | -9.500000612561177e-13 | PASS |
| Stress (23) | -1.366387718000000e-18 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.395736904718000e-15 | PASS |
| Stress (31) | 2.941339552000000e-19 | -4.453374436000000e-15 | 4.900000000000000e-15 | 4.453668569955200e-15 | PASS |
| Stress (32) | -1.366387705000000e-18 | 2.394370517000000e-15 | 2.640000000000000e-15 | -2.395736904705000e-15 | PASS |
| Stress (33) | -5.662478909000000e-04 | -5.662478901500000e-04 | 4.230000000000000e-12 | -7.499999970031479e-13 | PASS |