Input 30-stress.02-gamma_point.inp
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run intel_omp_autotools: [intel2022a-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) | 1.665959420000000e+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) | 1.720845688000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.578986940688000e-15 | PASS |
| Kinetic stress (13) | 9.436895708999999e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.550584865709001e-16 | PASS |
| Kinetic stress (21) | 1.720845688000000e-18 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.578986940688000e-15 | PASS |
| Kinetic stress (22) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Kinetic stress (23) | 5.551115123000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.925943010123000e-16 | PASS |
| Kinetic stress (31) | 9.436895708999999e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.550584865709001e-16 | PASS |
| Kinetic stress (32) | 5.551115123000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.925943010123000e-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) | 2.346763437000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.346763437000000e-20 | PASS |
| Hartree stress (13) | 1.049141301000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.049141301000000e-20 | PASS |
| Hartree stress (21) | 2.346763437000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.346763437000000e-20 | PASS |
| Hartree stress (22) | 8.859962919000001e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -4.999999980020986e-13 | PASS |
| Hartree stress (23) | -1.463276025000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.463276025000000e-20 | PASS |
| Hartree stress (31) | 1.049141301000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.049141301000000e-20 | PASS |
| Hartree stress (32) | -1.463276025000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.463276025000000e-20 | 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) | -2.571126160000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.571126160000000e-20 | PASS |
| XC stress (13) | 8.983207921999999e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.983207921999999e-21 | PASS |
| XC stress (21) | -2.571126160000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.571126160000000e-20 | PASS |
| XC stress (22) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (23) | -5.443584289999999e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.443584289999999e-20 | PASS |
| XC stress (31) | 8.983207921999999e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | 8.983207921999999e-21 | PASS |
| XC stress (32) | -5.443584289999999e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.443584289999999e-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) | -5.662478916000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -5.999999976025183e-12 | PASS |
| Stress (12) | -1.533336469000000e-18 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.692662356690002e-16 | PASS |
| Stress (13) | -1.491471949000000e-18 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.703676759949000e-15 | PASS |
| Stress (21) | -1.533336416000000e-18 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.692662426160000e-16 | PASS |
| Stress (22) | -5.662478909000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -5.699999933855837e-12 | PASS |
| Stress (23) | -9.024178033000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.174900872803300e-15 | PASS |
| Stress (31) | -1.491471922000000e-18 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.703676759922000e-15 | PASS |
| Stress (32) | -9.024177900999999e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.174900872790100e-15 | PASS |
| Stress (33) | -5.662478910000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -5.899999998108807e-12 | PASS |