| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Stress (11) |
6.633499920000000e-03 |
6.629854931000000e-03 |
1.120000000000000e-04 |
3.644988999999647e-06 |
PASS |
| Stress (12) |
-2.690758112000000e-05 |
-5.944475920000000e-05 |
1.470000000000000e-04 |
3.253717808000000e-05 |
PASS |
| Stress (13) |
2.464465844000000e-05 |
2.073665228500001e-05 |
1.270000000000000e-04 |
3.908006154999989e-06 |
PASS |
| Stress (21) |
-2.690758112000000e-05 |
-5.944475920000000e-05 |
1.470000000000000e-04 |
3.253717808000000e-05 |
PASS |
| Stress (22) |
6.653527948000000e-03 |
6.638527321499999e-03 |
1.110000000000000e-04 |
1.500062650000057e-05 |
PASS |
| Stress (23) |
5.984573349000000e-05 |
-2.114448985000000e-06 |
1.210000000000000e-04 |
6.196018247500000e-05 |
PASS |
| Stress (31) |
2.464465844000000e-05 |
2.073665228500001e-05 |
1.270000000000000e-04 |
3.908006154999989e-06 |
PASS |
| Stress (32) |
5.984573349000000e-05 |
-2.114448985000000e-06 |
1.210000000000000e-04 |
6.196018247500000e-05 |
PASS |
| Stress (33) |
6.605218768000000e-03 |
6.666820308000000e-03 |
1.320000000000000e-04 |
-6.160154000000011e-05 |
PASS |
| Pressure (H/b^3) |
-6.630748880000000e-03 |
-6.656704910000000e-03 |
4.360000000000000e-05 |
2.595603000000047e-05 |
PASS |
| Pressure (GPa) |
-1.950834383700000e+02 |
-1.960090109700000e+02 |
1.460000000000000e+00 |
9.255726000000095e-01 |
PASS |
| Kinetic stress (11) |
1.050163768000000e-02 |
1.050163768000000e-02 |
5.250000000000000e-11 |
-1.734723475976807e-18 |
PASS |
| Kinetic stress (12) |
-2.311403846000000e-14 |
7.178671366000000e-05 |
1.000000000000000e-04 |
-7.178671368311404e-05 |
PASS |
| Kinetic stress (13) |
-2.945527156000000e-14 |
-5.529174315000000e-05 |
1.000000000000000e-04 |
5.529174312054473e-05 |
PASS |
| Kinetic stress (21) |
-2.311403846000000e-14 |
7.178671366000000e-05 |
1.000000000000000e-04 |
-7.178671368311404e-05 |
PASS |
| Kinetic stress (22) |
1.050163768000000e-02 |
1.050163768000000e-02 |
5.250000000000000e-11 |
-1.734723475976807e-18 |
PASS |
| Kinetic stress (23) |
8.276331703000000e-14 |
6.562294731999999e-05 |
1.000000000000000e-04 |
-6.562294723723668e-05 |
PASS |
| Kinetic stress (31) |
-2.945527156000000e-14 |
-5.529174315000000e-05 |
1.000000000000000e-04 |
5.529174312054473e-05 |
PASS |
| Kinetic stress (32) |
8.276331703000000e-14 |
6.562294731999999e-05 |
1.000000000000000e-04 |
-6.562294723723668e-05 |
PASS |
| Kinetic stress (33) |
1.050163768000000e-02 |
1.050163768000000e-02 |
5.250000000000000e-11 |
-1.734723475976807e-18 |
PASS |
| Hartree stress (11) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Hartree stress (12) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Hartree stress (13) |
0.000000000000000e+00 |
-6.586250444000000e-05 |
1.000000000000000e-04 |
6.586250444000000e-05 |
PASS |
| Hartree stress (21) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Hartree stress (22) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Hartree stress (23) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Hartree stress (31) |
0.000000000000000e+00 |
-6.586250444000000e-05 |
1.000000000000000e-04 |
6.586250444000000e-05 |
PASS |
| Hartree stress (32) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Hartree stress (33) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (11) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (12) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (13) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (21) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (22) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (31) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (32) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (33) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Pseudopotential stress (11) |
7.465789711000000e-03 |
7.465789711000000e-03 |
7.470000000000000e-17 |
0.000000000000000e+00 |
PASS |
| Pseudopotential stress (12) |
1.235277852000000e-14 |
-5.808312165000000e-15 |
3.690000000000000e-14 |
1.816109068500000e-14 |
PASS |
| Pseudopotential stress (13) |
1.317246312000000e-14 |
-5.812780799999994e-16 |
3.470000000000000e-14 |
1.375374120000000e-14 |
PASS |
| Pseudopotential stress (21) |
1.235277852000000e-14 |
-5.808312165000000e-15 |
3.690000000000000e-14 |
1.816109068500000e-14 |
PASS |
| Pseudopotential stress (22) |
7.465789711000000e-03 |
7.465789711000000e-03 |
7.470000000000000e-17 |
0.000000000000000e+00 |
PASS |
| Pseudopotential stress (23) |
-5.021667804000000e-14 |
-1.600006932000000e-14 |
3.760000000000000e-14 |
-3.421660872000000e-14 |
PASS |
| Pseudopotential stress (31) |
1.317246312000000e-14 |
-8.051288476000000e-05 |
1.000000000000000e-04 |
8.051288477317246e-05 |
PASS |
| Pseudopotential stress (32) |
-5.021667804000000e-14 |
-1.600006932000000e-14 |
3.760000000000000e-14 |
-3.421660872000000e-14 |
PASS |
| Pseudopotential stress (33) |
7.465789711000000e-03 |
7.465789711000000e-03 |
7.470000000000000e-17 |
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 |
-4.261232943000000e-19 |
1.360000000000000e-19 |
-2.981110299999997e-20 |
PASS |
| Ion-ion stress (13) |
5.974689174000000e-20 |
1.081820885000000e-19 |
5.330000000000000e-20 |
-4.843519676000001e-20 |
PASS |
| Ion-ion stress (21) |
-4.559479503000000e-19 |
-4.261309377000000e-19 |
1.360000000000000e-19 |
-2.981701259999993e-20 |
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 |
3.016593705000000e-20 |
1.770000000000000e-19 |
-1.605648856500000e-19 |
PASS |
| Ion-ion stress (31) |
5.974520406000000e-20 |
1.081804141000000e-19 |
5.330000000000000e-20 |
-4.843521004000000e-20 |
PASS |
| Ion-ion stress (32) |
-1.303989023000000e-19 |
3.015916080000000e-20 |
1.770000000000000e-19 |
-1.605580631000000e-19 |
PASS |
| Ion-ion stress (33) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |