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) |
1.665959411000000e+01 |
1.665959420000000e+01 |
8.330000000000000e-07 |
-9.000000034120603e-08 |
PASS |
| Kinetic stress (11) |
9.361438596000001e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (12) |
-8.413408858000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.576424754114200e-15 |
PASS |
| Kinetic stress (13) |
-1.630640067000000e-19 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.924959745006700e-15 |
PASS |
| Kinetic stress (21) |
-8.413408858000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.576424754114200e-15 |
PASS |
| Kinetic stress (22) |
9.361438596000001e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (23) |
7.216449660000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.089329122660000e-16 |
PASS |
| Kinetic stress (31) |
-1.630640067000000e-19 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.924959745006700e-15 |
PASS |
| Kinetic stress (32) |
7.216449660000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.089329122660000e-16 |
PASS |
| Kinetic stress (33) |
9.361438596000001e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Hartree stress (11) |
8.859962928000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
3.999999116655051e-13 |
PASS |
| Hartree stress (12) |
2.015455658000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.015455658000000e-20 |
PASS |
| Hartree stress (13) |
-9.939233380000001e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-9.939233380000001e-21 |
PASS |
| Hartree stress (21) |
2.015455658000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.015455658000000e-20 |
PASS |
| Hartree stress (22) |
8.859962928000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
3.999999116655051e-13 |
PASS |
| Hartree stress (23) |
-7.454425035000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-7.454425035000000e-21 |
PASS |
| Hartree stress (31) |
-9.939233380000001e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-9.939233380000001e-21 |
PASS |
| Hartree stress (32) |
-7.454425035000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-7.454425035000000e-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) |
-2.389924637000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.389924637000000e-20 |
PASS |
| XC stress (13) |
3.856329251000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.856329251000000e-21 |
PASS |
| XC stress (21) |
-2.389924637000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.389924637000000e-20 |
PASS |
| XC stress (22) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
-8.855941221999999e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-8.855941221999999e-21 |
PASS |
| XC stress (31) |
3.856329251000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.856329251000000e-21 |
PASS |
| XC stress (32) |
-8.855941221999999e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-8.855941221999999e-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) |
-3.027589048000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.027589048000000e-19 |
PASS |
| Ion-ion stress (13) |
1.566172853000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.566172853000000e-19 |
PASS |
| Ion-ion stress (21) |
-3.027741915000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.027741915000000e-19 |
PASS |
| Ion-ion stress (22) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (23) |
1.907308227000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.907308227000000e-19 |
PASS |
| Ion-ion stress (31) |
1.566156241000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.566156241000000e-19 |
PASS |
| Ion-ion stress (32) |
1.907172239000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.907172239000000e-19 |
PASS |
| Ion-ion stress (33) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Stress (11) |
-5.662478880000000e-04 |
-5.662478899000000e-04 |
4.180000000000000e-12 |
1.900000014092018e-12 |
PASS |
| Stress (12) |
1.219515406000000e-18 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.665133837940001e-16 |
PASS |
| Stress (13) |
-2.884053959000000e-19 |
-4.453374438000000e-15 |
4.900000000000000e-15 |
4.453086032604100e-15 |
PASS |
| Stress (21) |
1.219530693000000e-18 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.665133755069999e-16 |
PASS |
| Stress (22) |
-5.662478880000000e-04 |
-5.662478899500000e-04 |
4.130000000000000e-12 |
1.949999948840098e-12 |
PASS |
| Stress (23) |
-1.275316698000000e-18 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.395645833698000e-15 |
PASS |
| Stress (31) |
-2.884037346000000e-19 |
-4.453374436000000e-15 |
4.900000000000000e-15 |
4.453086032265399e-15 |
PASS |
| Stress (32) |
-1.275303099000000e-18 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.395645820099000e-15 |
PASS |
| Stress (33) |
-5.662478876000000e-04 |
-5.662478901500000e-04 |
4.230000000000000e-12 |
2.550000033178790e-12 |
PASS |