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) |
1.665959410000000e+01 |
1.665959420000000e+01 |
8.330000000000000e-07 |
-1.000000011686097e-07 |
PASS |
| Kinetic stress (11) |
9.361438596000001e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (12) |
-2.775557562000000e-20 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.577238339424380e-15 |
PASS |
| Kinetic stress (13) |
-1.498801083000000e-18 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.926295482083000e-15 |
PASS |
| Kinetic stress (21) |
-2.775557562000000e-20 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.577238339424380e-15 |
PASS |
| Kinetic stress (22) |
9.361438596000001e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (23) |
6.661338148000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.088774011148000e-16 |
PASS |
| Kinetic stress (31) |
-1.498801083000000e-18 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.926295482083000e-15 |
PASS |
| Kinetic stress (32) |
6.661338148000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.088774011148000e-16 |
PASS |
| Kinetic stress (33) |
9.361438596000001e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Hartree stress (11) |
8.859962926000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
1.999999558327525e-13 |
PASS |
| Hartree stress (12) |
-8.006604667000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-8.006604667000000e-21 |
PASS |
| Hartree stress (13) |
7.730514851000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
7.730514851000000e-21 |
PASS |
| Hartree stress (21) |
-8.006604667000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-8.006604667000000e-21 |
PASS |
| Hartree stress (22) |
8.859962926000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
1.999999558327525e-13 |
PASS |
| Hartree stress (23) |
-2.760898161000000e-22 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.760898161000000e-22 |
PASS |
| Hartree stress (31) |
7.730514851000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
7.730514851000000e-21 |
PASS |
| Hartree stress (32) |
-2.760898161000000e-22 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.760898161000000e-22 |
PASS |
| Hartree stress (33) |
8.859962926000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
1.999999558327525e-13 |
PASS |
| XC stress (11) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (12) |
4.282386823000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
4.282386823000000e-21 |
PASS |
| XC stress (13) |
-6.125954033000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-6.125954033000000e-21 |
PASS |
| XC stress (21) |
4.282386823000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
4.282386823000000e-21 |
PASS |
| XC stress (22) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
-5.499636696000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-5.499636696000000e-20 |
PASS |
| XC stress (31) |
-6.125954033000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-6.125954033000000e-21 |
PASS |
| XC stress (32) |
-5.499636696000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-5.499636696000000e-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) |
-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) |
-5.662478875000000e-04 |
-5.662478899000000e-04 |
4.180000000000000e-12 |
2.400000012094117e-12 |
PASS |
| Stress (12) |
3.362633019000000e-19 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.673966358981001e-16 |
PASS |
| Stress (13) |
1.933818392000000e-18 |
-4.453374438000000e-15 |
4.900000000000000e-15 |
4.455308256392000e-15 |
PASS |
| Stress (21) |
3.362785887000000e-19 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.673966276112999e-16 |
PASS |
| Stress (22) |
-5.662478872000000e-04 |
-5.662478899500000e-04 |
4.130000000000000e-12 |
2.749999989011542e-12 |
PASS |
| Stress (23) |
-1.065120688000000e-18 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.395435637688000e-15 |
PASS |
| Stress (31) |
1.933820053000000e-18 |
-4.453374436000000e-15 |
4.900000000000000e-15 |
4.455308256053000e-15 |
PASS |
| Stress (32) |
-1.065107089000000e-18 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.395435624089000e-15 |
PASS |
| Stress (33) |
-5.662478878000000e-04 |
-5.662478901500000e-04 |
4.230000000000000e-12 |
2.349999968925820e-12 |
PASS |