Input 30-stress.03-par_kpoints.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
7.843765460000000e-04 |
7.843765459999999e-04 |
3.920000000000000e-11 |
1.084202172485504e-19 |
PASS |
| Pressure (GPa) |
2.307716313000000e+01 |
2.307716313000000e+01 |
1.150000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (11) |
1.181860519000000e-02 |
1.181860519000000e-02 |
5.909999999999999e-11 |
-1.734723475976807e-18 |
PASS |
| Kinetic stress (12) |
-1.067677963000000e-07 |
-1.067677948000000e-07 |
1.710000000000000e-15 |
-1.500000018676130e-15 |
PASS |
| Kinetic stress (13) |
-5.144835062000000e-05 |
-5.144835062000000e-05 |
1.100000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (21) |
-1.067677963000000e-07 |
-1.067677948000000e-07 |
1.710000000000000e-15 |
-1.500000018676130e-15 |
PASS |
| Kinetic stress (22) |
1.326567937000000e-02 |
1.326567937000000e-02 |
6.630000000000001e-11 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (23) |
1.219673883000000e-04 |
1.219673883000000e-04 |
6.100000000000000e-13 |
1.355252715606881e-20 |
PASS |
| Kinetic stress (31) |
-5.144835062000000e-05 |
-5.144835062000000e-05 |
1.100000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (32) |
1.219673883000000e-04 |
1.219673883000000e-04 |
6.100000000000000e-13 |
1.355252715606881e-20 |
PASS |
| Kinetic stress (33) |
1.316742146000000e-02 |
1.316742146000000e-02 |
6.580000000000000e-11 |
-1.734723475976807e-18 |
PASS |
| Hartree stress (11) |
7.577650284000000e-04 |
7.577650284000001e-04 |
3.790000000000000e-12 |
-1.084202172485504e-19 |
PASS |
| Hartree stress (12) |
1.320122246000000e-04 |
1.320122246000000e-04 |
6.600000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Hartree stress (13) |
-9.208879945999999e-05 |
-9.208879946000001e-05 |
4.600000000000000e-13 |
1.355252715606881e-20 |
PASS |
| Hartree stress (21) |
1.320122246000000e-04 |
1.320122246000000e-04 |
6.600000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Hartree stress (22) |
9.724327410000000e-04 |
9.724327410000000e-04 |
4.860000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Hartree stress (23) |
1.799918736000000e-04 |
1.799918736000000e-04 |
9.000000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Hartree stress (31) |
-9.208879945999999e-05 |
-9.208879946000001e-05 |
4.600000000000000e-13 |
1.355252715606881e-20 |
PASS |
| Hartree stress (32) |
1.799918736000000e-04 |
1.799918736000000e-04 |
9.000000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Hartree stress (33) |
8.819739300000000e-04 |
8.819739300000000e-04 |
8.819999999999999e-18 |
0.000000000000000e+00 |
PASS |
| XC stress (11) |
-4.919494645000000e-03 |
-4.919494664000000e-03 |
2.460000000000000e-11 |
1.899999949039888e-11 |
PASS |
| XC stress (12) |
-1.419618297000000e-05 |
-1.419618297000000e-05 |
7.100000000000000e-14 |
-1.694065894508601e-21 |
PASS |
| XC stress (13) |
8.311044163000001e-06 |
8.311044163000001e-06 |
4.160000000000000e-14 |
0.000000000000000e+00 |
PASS |
| XC stress (21) |
-1.419618297000000e-05 |
-1.419618297000000e-05 |
7.100000000000000e-14 |
-1.694065894508601e-21 |
PASS |
| XC stress (22) |
-4.949842679000000e-03 |
-4.949842679000000e-03 |
2.470000000000000e-11 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
-2.466539150000000e-05 |
-2.466539150000000e-05 |
1.230000000000000e-12 |
3.388131789017201e-21 |
PASS |
| XC stress (31) |
8.311044163000001e-06 |
8.311044163000001e-06 |
4.160000000000000e-14 |
0.000000000000000e+00 |
PASS |
| XC stress (32) |
-2.466539150000000e-05 |
-2.466539150000000e-05 |
1.230000000000000e-12 |
3.388131789017201e-21 |
PASS |
| XC stress (33) |
-4.934135112000000e-03 |
-4.934135112000000e-03 |
2.470000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (11) |
-1.649667662000000e-02 |
-1.649667662000000e-02 |
8.250000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (12) |
1.129036311000000e-03 |
1.129036311000000e-03 |
5.650000000000000e-12 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (13) |
-5.340350017000000e-04 |
-5.340350016999999e-04 |
2.670000000000000e-12 |
-1.084202172485504e-19 |
PASS |
| Ion-ion stress (21) |
1.129036311000000e-03 |
1.129036311000000e-03 |
5.650000000000000e-12 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (22) |
-1.537087689000000e-02 |
-1.537087689000000e-02 |
7.690000000000000e-16 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (23) |
1.722698484000000e-03 |
1.722698484000000e-03 |
8.610000000000000e-12 |
-2.168404344971009e-19 |
PASS |
| Ion-ion stress (31) |
-5.340350017000000e-04 |
-5.340350016999999e-04 |
2.670000000000000e-12 |
-1.084202172485504e-19 |
PASS |
| Ion-ion stress (32) |
1.722698484000000e-03 |
1.722698484000000e-03 |
8.610000000000000e-12 |
-2.168404344971009e-19 |
PASS |
| Ion-ion stress (33) |
-1.588156233000000e-02 |
-1.588156233000000e-02 |
7.940000000000000e-11 |
-3.469446951953614e-18 |
PASS |
| Stress (11) |
1.674269190000000e-04 |
1.674269190000000e-04 |
1.670000000000000e-18 |
-2.710505431213761e-20 |
PASS |
| Stress (12) |
-3.073197394000000e-04 |
-3.073197394000000e-04 |
1.540000000000000e-12 |
0.000000000000000e+00 |
PASS |
| Stress (13) |
7.451734414999999e-05 |
7.451734416000000e-05 |
3.730000000000000e-13 |
-1.000000321264849e-14 |
PASS |
| Stress (21) |
-3.073197394000000e-04 |
-3.073197394000000e-04 |
1.540000000000000e-12 |
0.000000000000000e+00 |
PASS |
| Stress (22) |
-1.351733617000000e-03 |
-1.351733617000000e-03 |
6.760000000000000e-12 |
0.000000000000000e+00 |
PASS |
| Stress (23) |
-5.513510452000000e-04 |
-5.513510452000000e-04 |
2.760000000000000e-12 |
0.000000000000000e+00 |
PASS |
| Stress (31) |
7.451734414999999e-05 |
7.451734416000000e-05 |
3.730000000000000e-13 |
-1.000000321264849e-14 |
PASS |
| Stress (32) |
-5.513510452000000e-04 |
-5.513510452000000e-04 |
2.760000000000000e-12 |
0.000000000000000e+00 |
PASS |
| Stress (33) |
-1.168822940000000e-03 |
-1.168822940000000e-03 |
5.840000000000000e-11 |
0.000000000000000e+00 |
PASS |