Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.662478910000000e-04 |
5.662478900000000e-04 |
4.400000000000000e-12 |
9.999999960041972e-13 |
PASS |
| Pressure (GPa) |
1.665959420000000e+01 |
1.665959420000000e+01 |
8.330000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (11) |
9.361438598000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
1.999999124646656e-12 |
PASS |
| Kinetic stress (12) |
-5.551115123000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.576710983487700e-15 |
PASS |
| Kinetic stress (13) |
2.498001805000000e-19 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.924546880819500e-15 |
PASS |
| Kinetic stress (21) |
-5.551115123000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.576710983487700e-15 |
PASS |
| Kinetic stress (22) |
9.361438598000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
1.999999124646656e-12 |
PASS |
| Kinetic stress (23) |
1.276756478000000e-18 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.094880237780000e-16 |
PASS |
| Kinetic stress (31) |
2.498001805000000e-19 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.924546880819500e-15 |
PASS |
| Kinetic stress (32) |
1.276756478000000e-18 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.094880237780000e-16 |
PASS |
| Kinetic stress (33) |
9.361438598000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
1.999999124646656e-12 |
PASS |
| Hartree stress (11) |
8.859962931000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
6.999999538348511e-13 |
PASS |
| Hartree stress (12) |
6.708982531000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
6.708982531000000e-20 |
PASS |
| Hartree stress (13) |
-2.595244271000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.595244271000000e-20 |
PASS |
| Hartree stress (21) |
6.708982531000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
6.708982531000000e-20 |
PASS |
| Hartree stress (22) |
8.859962931000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
6.999999538348511e-13 |
PASS |
| Hartree stress (23) |
1.380449080000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.380449080000000e-20 |
PASS |
| Hartree stress (31) |
-2.595244271000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.595244271000000e-20 |
PASS |
| Hartree stress (32) |
1.380449080000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.380449080000000e-20 |
PASS |
| Hartree stress (33) |
8.859962931000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
6.999999538348511e-13 |
PASS |
| XC stress (11) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (12) |
-3.156531805000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.156531805000000e-20 |
PASS |
| XC stress (13) |
6.557919660000001e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
6.557919660000001e-20 |
PASS |
| XC stress (21) |
-3.156531805000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.156531805000000e-20 |
PASS |
| XC stress (22) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
1.842317836000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.842317836000000e-20 |
PASS |
| XC stress (31) |
6.557919660000001e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
6.557919660000001e-20 |
PASS |
| XC stress (32) |
1.842317836000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.842317836000000e-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) |
-5.494876839000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-5.494876839000000e-19 |
PASS |
| Ion-ion stress (13) |
1.030767272000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.030767272000000e-19 |
PASS |
| Ion-ion stress (21) |
-5.494876839000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-5.494876839000000e-19 |
PASS |
| Ion-ion stress (22) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (23) |
-7.770561860000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-7.770561860000000e-21 |
PASS |
| Ion-ion stress (31) |
1.030767272000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.030767272000000e-19 |
PASS |
| Ion-ion stress (32) |
-7.770561860000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-7.770561860000000e-21 |
PASS |
| Ion-ion stress (33) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Stress (11) |
-5.662478910000000e-04 |
-5.662478899000000e-04 |
4.180000000000000e-12 |
-1.099999973920573e-12 |
PASS |
| Stress (12) |
1.395050545000000e-18 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.663378486550001e-16 |
PASS |
| Stress (13) |
-3.072610018000000e-19 |
-4.453374438000000e-15 |
4.900000000000000e-15 |
4.453067176998201e-15 |
PASS |
| Stress (21) |
1.395050545000000e-18 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.663378556549999e-16 |
PASS |
| Stress (22) |
-5.662478911000000e-04 |
-5.662478899500000e-04 |
4.130000000000000e-12 |
-1.150000017088870e-12 |
PASS |
| Stress (23) |
-1.661879322000000e-18 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.396032396322000e-15 |
PASS |
| Stress (31) |
-3.072610018000000e-19 |
-4.453374436000000e-15 |
4.900000000000000e-15 |
4.453067174998200e-15 |
PASS |
| Stress (32) |
-1.661879322000000e-18 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.396032396322000e-15 |
PASS |
| Stress (33) |
-5.662478906999999e-04 |
-5.662478901500000e-04 |
4.230000000000000e-12 |
-5.499999327501781e-13 |
PASS |