Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.662478880000000e-04 |
5.662478900000000e-04 |
4.400000000000000e-12 |
-1.999999992008394e-12 |
PASS |
| Pressure (GPa) |
1.665959412000000e+01 |
1.665959420000000e+01 |
8.330000000000000e-07 |
-7.999999951380232e-08 |
PASS |
| Kinetic stress (11) |
9.361438596000001e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (12) |
-2.220446049000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.577044050395100e-15 |
PASS |
| Kinetic stress (13) |
-6.661338148000000e-19 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.925462814814800e-15 |
PASS |
| Kinetic stress (21) |
-2.220446049000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.577044050395100e-15 |
PASS |
| Kinetic stress (22) |
9.361438596999999e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
9.999986949615902e-13 |
PASS |
| Kinetic stress (23) |
1.110223025000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.083222896025000e-16 |
PASS |
| Kinetic stress (31) |
-6.661338148000000e-19 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.925462814814800e-15 |
PASS |
| Kinetic stress (32) |
1.110223025000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.083222896025000e-16 |
PASS |
| Kinetic stress (33) |
9.361438596999999e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
9.999986949615902e-13 |
PASS |
| Hartree stress (11) |
8.859962928000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
3.999999116655051e-13 |
PASS |
| Hartree stress (12) |
2.688569906000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.688569906000000e-19 |
PASS |
| Hartree stress (13) |
1.133319355000000e-22 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.133319355000000e-22 |
PASS |
| Hartree stress (21) |
2.688569906000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.688569906000000e-19 |
PASS |
| Hartree stress (22) |
8.859962928000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
3.999999116655051e-13 |
PASS |
| Hartree stress (23) |
-6.933989704000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-6.933989704000000e-21 |
PASS |
| Hartree stress (31) |
1.133319355000000e-22 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.133319355000000e-22 |
PASS |
| Hartree stress (32) |
-6.933989704000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-6.933989704000000e-21 |
PASS |
| Hartree stress (33) |
8.859962928000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
3.999999116655051e-13 |
PASS |
| XC stress (11) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (12) |
-1.659373361000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.659373361000000e-20 |
PASS |
| XC stress (13) |
-1.832845709000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.832845709000000e-20 |
PASS |
| XC stress (21) |
-1.659373361000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.659373361000000e-20 |
PASS |
| XC stress (22) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
-5.651173918000000e-22 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-5.651173918000000e-22 |
PASS |
| XC stress (31) |
-1.832845709000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.832845709000000e-20 |
PASS |
| XC stress (32) |
-5.651173918000000e-22 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-5.651173918000000e-22 |
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) |
-4.451112881000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.451112881000000e-19 |
PASS |
| Ion-ion stress (13) |
6.623349638000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
6.623349638000000e-20 |
PASS |
| Ion-ion stress (21) |
-4.451248145000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.451248145000000e-19 |
PASS |
| Ion-ion stress (22) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (23) |
-1.229906970000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.229906970000000e-19 |
PASS |
| Ion-ion stress (31) |
6.623180208000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
6.623180208000000e-20 |
PASS |
| Ion-ion stress (32) |
-1.229906706000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.229906706000000e-19 |
PASS |
| Ion-ion stress (33) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Stress (11) |
-5.662478881000000e-04 |
-5.662478899000000e-04 |
4.180000000000000e-12 |
1.800000036175642e-12 |
PASS |
| Stress (12) |
8.567516821000000e-19 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.668761475179002e-16 |
PASS |
| Stress (13) |
7.032500243000000e-19 |
-4.453374438000000e-15 |
4.900000000000000e-15 |
4.454077688024300e-15 |
PASS |
| Stress (21) |
8.567652086000000e-19 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.668761409913999e-16 |
PASS |
| Stress (22) |
-5.662478886000000e-04 |
-5.662478899500000e-04 |
4.130000000000000e-12 |
1.349999972921623e-12 |
PASS |
| Stress (23) |
4.727486790000000e-19 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.393897768321000e-15 |
PASS |
| Stress (31) |
7.032517185000000e-19 |
-4.453374436000000e-15 |
4.900000000000000e-15 |
4.454077687718499e-15 |
PASS |
| Stress (32) |
4.727486526000000e-19 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.393897768347400e-15 |
PASS |
| Stress (33) |
-5.662478886000000e-04 |
-5.662478901500000e-04 |
4.230000000000000e-12 |
1.550000037174593e-12 |
PASS |