Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.662479000000000e-04 |
5.662478850000000e-04 |
2.830000000000000e-11 |
1.499999994006296e-11 |
PASS |
| Pressure (GPa) |
1.665959445000000e+01 |
1.665959420000000e+01 |
8.330000000000000e-07 |
2.499999993688107e-07 |
PASS |
| Kinetic stress (11) |
9.361438602000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
5.999999108663445e-12 |
PASS |
| Kinetic stress (12) |
-1.360023205000000e-18 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.575906071795000e-15 |
PASS |
| Kinetic stress (13) |
-2.220446049000000e-18 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
8.518943509510002e-16 |
PASS |
| Kinetic stress (21) |
-1.360023205000000e-18 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.575906071795000e-15 |
PASS |
| Kinetic stress (22) |
9.361438602000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
5.999999108663445e-12 |
PASS |
| Kinetic stress (23) |
2.581268532000000e-18 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
4.946204580320000e-16 |
PASS |
| Kinetic stress (31) |
-2.220446049000000e-18 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
8.518943509510002e-16 |
PASS |
| Kinetic stress (32) |
2.581268532000000e-18 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
4.946204580320000e-16 |
PASS |
| Kinetic stress (33) |
9.361438602000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
5.999999108663445e-12 |
PASS |
| Hartree stress (11) |
8.859962947000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
2.299999925757523e-12 |
PASS |
| Hartree stress (12) |
-7.509642998000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-7.509642998000000e-20 |
PASS |
| Hartree stress (13) |
-2.043064639000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.043064639000000e-20 |
PASS |
| Hartree stress (21) |
-7.509642998000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-7.509642998000000e-20 |
PASS |
| Hartree stress (22) |
8.859962947000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
2.299999925757523e-12 |
PASS |
| Hartree stress (23) |
-3.313077793000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.313077793000000e-21 |
PASS |
| Hartree stress (31) |
-2.043064639000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.043064639000000e-20 |
PASS |
| Hartree stress (32) |
-3.313077793000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.313077793000000e-21 |
PASS |
| Hartree stress (33) |
8.859962947000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
2.299999925757523e-12 |
PASS |
| XC stress (11) |
-3.734425481000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
-9.999999960041972e-13 |
PASS |
| XC stress (12) |
4.563390003000000e-22 |
0.000000000000000e+00 |
1.000000000000000e-15 |
4.563390003000000e-22 |
PASS |
| XC stress (13) |
-4.117702442000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.117702442000000e-20 |
PASS |
| XC stress (21) |
4.563390003000000e-22 |
0.000000000000000e+00 |
1.000000000000000e-15 |
4.563390003000000e-22 |
PASS |
| XC stress (22) |
-3.734425481000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
-9.999999960041972e-13 |
PASS |
| XC stress (23) |
1.210941595000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.210941595000000e-19 |
PASS |
| XC stress (31) |
-4.117702442000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.117702442000000e-20 |
PASS |
| XC stress (32) |
1.210941595000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.210941595000000e-19 |
PASS |
| XC stress (33) |
-3.734425481000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
-9.999999960041972e-13 |
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) |
-5.662478996000000e-04 |
-5.662478856000000e-04 |
8.850000000000000e-12 |
-1.400000005247898e-11 |
FAIL |
| Stress (12) |
1.723005217000000e-18 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.660098939830000e-16 |
PASS |
| Stress (13) |
2.802669706000000e-18 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-1.699382618294000e-15 |
PASS |
| Stress (21) |
1.723005217000000e-18 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.660099009829999e-16 |
PASS |
| Stress (22) |
-5.662479001000000e-04 |
-5.662478852000001e-04 |
9.570000000000001e-12 |
-1.489999996214658e-11 |
FAIL |
| Stress (23) |
-2.607982239000000e-18 |
1.173998455000000e-15 |
1.270000000000000e-14 |
-1.176606437239000e-15 |
PASS |
| Stress (31) |
2.802669706000000e-18 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-1.699382618294000e-15 |
PASS |
| Stress (32) |
-2.607982239000000e-18 |
1.173998455000000e-15 |
1.270000000000000e-14 |
-1.176606437239000e-15 |
PASS |
| Stress (33) |
-5.662478994000000e-04 |
-5.662478851000000e-04 |
9.680000000000001e-12 |
-1.429999998622811e-11 |
FAIL |