Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.662478860000000e-04 |
5.662478900000000e-04 |
4.400000000000000e-12 |
-3.999999984016789e-12 |
PASS |
| Pressure (GPa) |
1.665959406000000e+01 |
1.665959420000000e+01 |
8.330000000000000e-07 |
-1.400000009255109e-07 |
PASS |
| Kinetic stress (11) |
9.361438594000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-2.000000859370132e-12 |
PASS |
| Kinetic stress (12) |
-2.275957200000000e-18 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.574990137800000e-15 |
PASS |
| Kinetic stress (13) |
6.661338148000000e-19 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.924130547185200e-15 |
PASS |
| Kinetic stress (21) |
-2.275957200000000e-18 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.574990137800000e-15 |
PASS |
| Kinetic stress (22) |
9.361438594000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-2.000000859370132e-12 |
PASS |
| Kinetic stress (23) |
5.551115123000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.087663788123000e-16 |
PASS |
| Kinetic stress (31) |
6.661338148000000e-19 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.924130547185200e-15 |
PASS |
| Kinetic stress (32) |
5.551115123000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.087663788123000e-16 |
PASS |
| Kinetic stress (33) |
9.361438594000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-2.000000859370132e-12 |
PASS |
| Hartree stress (11) |
8.859962920000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-4.000000200857223e-13 |
PASS |
| Hartree stress (12) |
-6.819418458000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-6.819418458000000e-20 |
PASS |
| Hartree stress (13) |
-1.546102970000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.546102970000000e-20 |
PASS |
| Hartree stress (21) |
-6.819418458000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-6.819418458000000e-20 |
PASS |
| Hartree stress (22) |
8.859962920000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-4.000000200857223e-13 |
PASS |
| Hartree stress (23) |
2.484808345000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.484808345000000e-21 |
PASS |
| Hartree stress (31) |
-1.546102970000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.546102970000000e-20 |
PASS |
| Hartree stress (32) |
2.484808345000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.484808345000000e-21 |
PASS |
| Hartree stress (33) |
8.859962920000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-4.000000200857223e-13 |
PASS |
| XC stress (11) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (12) |
3.625173959000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.625173959000000e-20 |
PASS |
| XC stress (13) |
-2.272885859000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.272885859000000e-20 |
PASS |
| XC stress (21) |
3.625173959000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.625173959000000e-20 |
PASS |
| XC stress (22) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
2.755101716000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.755101716000000e-20 |
PASS |
| XC stress (31) |
-2.272885859000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.272885859000000e-20 |
PASS |
| XC stress (32) |
2.755101716000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.755101716000000e-20 |
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) |
-5.662478861000000e-04 |
-5.662478899000000e-04 |
4.180000000000000e-12 |
3.800000028184036e-12 |
PASS |
| Stress (12) |
2.715459477000000e-18 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.650174397230001e-16 |
PASS |
| Stress (13) |
-4.366586319000000e-19 |
-4.453374438000000e-15 |
4.900000000000000e-15 |
4.452937779368100e-15 |
PASS |
| Stress (21) |
2.715459530000000e-18 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.650174466699999e-16 |
PASS |
| Stress (22) |
-5.662478862000000e-04 |
-5.662478899500000e-04 |
4.130000000000000e-12 |
3.749999985015740e-12 |
PASS |
| Stress (23) |
-9.922974139999999e-19 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.395362814414000e-15 |
PASS |
| Stress (31) |
-4.366586054000000e-19 |
-4.453374436000000e-15 |
4.900000000000000e-15 |
4.452937777394600e-15 |
PASS |
| Stress (32) |
-9.922974008000000e-19 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.395362814400800e-15 |
PASS |
| Stress (33) |
-5.662478863000001e-04 |
-5.662478901500000e-04 |
4.230000000000000e-12 |
3.849999962932116e-12 |
PASS |