Input 30-stress.02-gamma_point.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run intel_autotools: [intel2023a-serial]
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) | 9.361438598000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 1.999999124646656e-12 | PASS |
| Kinetic stress (12) | -2.191065864000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.575075029136000e-15 | PASS |
| Kinetic stress (13) | 2.324957037000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | 3.179071834000000e-15 | PASS |
| Kinetic stress (21) | -2.191065864000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.575075029136000e-15 | PASS |
| Kinetic stress (22) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Kinetic stress (23) | -3.954852505000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -3.462813315500000e-15 | PASS |
| Kinetic stress (31) | 2.324957037000000e-15 | -8.541147970000002e-16 | 5.350000000000000e-15 | 3.179071834000000e-15 | PASS |
| Kinetic stress (32) | -3.954852505000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -3.462813315500000e-15 | PASS |
| Kinetic stress (33) | 9.361438596999999e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 9.999986949615902e-13 | PASS |
| Hartree stress (11) | 8.859962930000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 5.999999759184749e-13 | PASS |
| Hartree stress (12) | -2.374372418000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.374372418000000e-20 | PASS |
| Hartree stress (13) | 1.739365841000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.739365841000000e-20 | PASS |
| Hartree stress (21) | -2.374372418000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.374372418000000e-20 | PASS |
| Hartree stress (22) | 8.859962930000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 5.999999759184749e-13 | PASS |
| Hartree stress (23) | -1.822192786000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.822192786000000e-20 | PASS |
| Hartree stress (31) | 1.739365841000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.739365841000000e-20 | PASS |
| Hartree stress (32) | -1.822192786000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.822192786000000e-20 | PASS |
| Hartree stress (33) | 8.859962930000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | 5.999999759184749e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | -2.104876874000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.104876874000000e-22 | PASS |
| XC stress (13) | -1.320494719000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.320494719000000e-19 | PASS |
| XC stress (21) | -2.104876874000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.104876874000000e-22 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | 9.737067245000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 9.737067245000000e-21 | PASS |
| XC stress (31) | -1.320494719000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.320494719000000e-19 | PASS |
| XC stress (32) | 9.737067245000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 9.737067245000000e-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) | -4.523568278000000e-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) | -5.662478911000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -5.499999978023085e-12 | PASS |
| Stress (12) | 5.390905009000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.623419941910001e-16 | PASS |
| Stress (13) | -4.443295495000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -6.145480783000001e-15 | PASS |
| Stress (21) | 5.390905062000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.623420011379999e-16 | PASS |
| Stress (22) | -5.662478906999999e-04 | -5.662478852000001e-04 | 8.640000000000000e-12 | -5.499999869602867e-12 | PASS |
| Stress (23) | 7.799915867000000e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | 6.625917412000000e-15 | PASS |
| Stress (31) | -4.443295495000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -6.145480783000001e-15 | PASS |
| Stress (32) | 7.799915867000000e-15 | 1.173998455000000e-15 | 1.270000000000000e-14 | 6.625917412000000e-15 | PASS |
| Stress (33) | -5.662478908000000e-04 | -5.662478851000000e-04 | 8.800000000000000e-12 | -5.700000042276054e-12 | PASS |