Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.662478890000000e-04 |
5.662478900000000e-04 |
4.400000000000000e-12 |
-9.999999960041972e-13 |
PASS |
| Pressure (GPa) |
1.665959414000000e+01 |
1.665959420000000e+01 |
8.330000000000000e-07 |
-6.000000141170858e-08 |
PASS |
| Kinetic stress (11) |
9.361438595000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-1.000000429685066e-12 |
PASS |
| Kinetic stress (12) |
-7.771561172000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.576488938882800e-15 |
PASS |
| Kinetic stress (13) |
-2.870967353000000e-19 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.925083777735300e-15 |
PASS |
| Kinetic stress (21) |
-7.771561172000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.576488938882800e-15 |
PASS |
| Kinetic stress (22) |
9.361438595000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-1.000000429685066e-12 |
PASS |
| Kinetic stress (23) |
-4.423544864000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.077689128136000e-16 |
PASS |
| Kinetic stress (31) |
-2.870967353000000e-19 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.925083777735300e-15 |
PASS |
| Kinetic stress (32) |
-4.423544864000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.077689128136000e-16 |
PASS |
| Kinetic stress (33) |
9.361438595000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-1.000000429685066e-12 |
PASS |
| Hartree stress (11) |
8.859962920000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-4.000000200857223e-13 |
PASS |
| Hartree stress (12) |
8.696829207000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
8.696829207000000e-20 |
PASS |
| Hartree stress (13) |
3.036987977000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.036987977000000e-21 |
PASS |
| Hartree stress (21) |
8.696829207000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
8.696829207000000e-20 |
PASS |
| Hartree stress (22) |
8.859962920000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-4.000000200857223e-13 |
PASS |
| Hartree stress (23) |
2.760898161000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.760898161000000e-21 |
PASS |
| Hartree stress (31) |
3.036987977000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.036987977000000e-21 |
PASS |
| Hartree stress (32) |
2.760898161000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.760898161000000e-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) |
4.911097028000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
4.911097028000000e-21 |
PASS |
| XC stress (13) |
-3.325281944000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.325281944000000e-20 |
PASS |
| XC stress (21) |
4.911097028000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
4.911097028000000e-21 |
PASS |
| XC stress (22) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
-7.527242989000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-7.527242989000000e-20 |
PASS |
| XC stress (31) |
-3.325281944000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.325281944000000e-20 |
PASS |
| XC stress (32) |
-7.527242989000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-7.527242989000000e-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) |
-4.559343973000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.559343973000000e-19 |
PASS |
| Ion-ion stress (13) |
5.974689174000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
5.974689174000000e-20 |
PASS |
| Ion-ion stress (21) |
-4.559479503000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.559479503000000e-19 |
PASS |
| Ion-ion stress (22) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (23) |
-1.303989486000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.303989486000000e-19 |
PASS |
| Ion-ion stress (31) |
5.974520406000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
5.974520406000000e-20 |
PASS |
| Ion-ion stress (32) |
-1.303989023000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.303989023000000e-19 |
PASS |
| Ion-ion stress (33) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Stress (11) |
-5.662478889000000e-04 |
-5.662478899000000e-04 |
4.180000000000000e-12 |
9.999999960041972e-13 |
PASS |
| Stress (12) |
1.772991229000000e-18 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.659599079710001e-16 |
PASS |
| Stress (13) |
4.593951518000000e-19 |
-4.453374438000000e-15 |
4.900000000000000e-15 |
4.453833833151800e-15 |
PASS |
| Stress (21) |
1.773004782000000e-18 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.659599014180000e-16 |
PASS |
| Stress (22) |
-5.662478892000000e-04 |
-5.662478899500000e-04 |
4.130000000000000e-12 |
7.499999970031479e-13 |
PASS |
| Stress (23) |
7.210212243000000e-19 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.393649495775700e-15 |
PASS |
| Stress (31) |
4.593968395000000e-19 |
-4.453374436000000e-15 |
4.900000000000000e-15 |
4.453833832839499e-15 |
PASS |
| Stress (32) |
7.210211780000000e-19 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.393649495822000e-15 |
PASS |
| Stress (33) |
-5.662478890000000e-04 |
-5.662478901500000e-04 |
4.230000000000000e-12 |
1.150000017088870e-12 |
PASS |