Input 30-stress.02-gamma_point.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662479000000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 1.499999994006296e-11 | PASS |
| Pressure (GPa) | 1.665959445000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | 2.499999993688107e-07 | PASS |
| Kinetic stress (11) | 9.361438602000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 5.999999108663445e-12 | PASS |
| Kinetic stress (12) | -1.360023205000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.575906071795000e-15 | PASS |
| Kinetic stress (13) | -2.220446049000000e-18 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.518943509510002e-16 | PASS |
| Kinetic stress (21) | -1.360023205000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.575906071795000e-15 | PASS |
| Kinetic stress (22) | 9.361438602000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 5.999999108663445e-12 | PASS |
| Kinetic stress (23) | 2.581268532000000e-18 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.946204580320000e-16 | PASS |
| Kinetic stress (31) | -2.220446049000000e-18 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.518943509510002e-16 | PASS |
| Kinetic stress (32) | 2.581268532000000e-18 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.946204580320000e-16 | PASS |
| Kinetic stress (33) | 9.361438602000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 5.999999108663445e-12 | PASS |
| Hartree stress (11) | 8.859962947000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 2.299999925757523e-12 | PASS |
| Hartree stress (12) | -7.509642998000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.509642998000000e-20 | PASS |
| Hartree stress (13) | -2.043064639000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.043064639000000e-20 | PASS |
| Hartree stress (21) | -7.509642998000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.509642998000000e-20 | PASS |
| Hartree stress (22) | 8.859962947000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 2.299999925757523e-12 | PASS |
| Hartree stress (23) | -3.313077793000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.313077793000000e-21 | PASS |
| Hartree stress (31) | -2.043064639000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.043064639000000e-20 | PASS |
| Hartree stress (32) | -3.313077793000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.313077793000000e-21 | PASS |
| Hartree stress (33) | 8.859962947000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 2.299999925757523e-12 | PASS |
| XC stress (11) | -3.734425481000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | -9.999999960041972e-13 | PASS |
| XC stress (12) | 4.563390003000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.563390003000000e-22 | PASS |
| XC stress (13) | -4.117702442000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.117702442000000e-20 | PASS |
| XC stress (21) | 4.563390003000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.563390003000000e-22 | PASS |
| XC stress (22) | -3.734425481000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | -9.999999960041972e-13 | PASS |
| XC stress (23) | 1.210941595000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.210941595000000e-19 | PASS |
| XC stress (31) | -4.117702442000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -4.117702442000000e-20 | PASS |
| XC stress (32) | 1.210941595000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.210941595000000e-19 | PASS |
| XC stress (33) | -3.734425481000000e-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) | -5.494876839000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.494876839000000e-19 | PASS |
| Ion-ion stress (13) | 1.030767272000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.030767272000000e-19 | PASS |
| Ion-ion stress (21) | -5.494876839000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.494876839000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -7.770561860000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.770561860000000e-21 | PASS |
| Ion-ion stress (31) | 1.030767272000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.030767272000000e-19 | PASS |
| Ion-ion stress (32) | -7.770561860000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.770561860000000e-21 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478996000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -1.400000005247898e-11 | FAIL |
| Stress (12) | 1.723005217000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.660098939830000e-16 | PASS |
| Stress (13) | 2.802669706000000e-18 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.699382618294000e-15 | PASS |
| Stress (21) | 1.723005217000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.660099009829999e-16 | PASS |
| Stress (22) | -5.662479001000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -1.489999996214658e-11 | FAIL |
| Stress (23) | -2.607982239000000e-18 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.176606437239000e-15 | PASS |
| Stress (31) | 2.802669706000000e-18 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.699382618294000e-15 | PASS |
| Stress (32) | -2.607982239000000e-18 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.176606437239000e-15 | PASS |
| Stress (33) | -5.662478994000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -1.429999998622811e-11 | FAIL |