Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.662478900000000e-04 |
5.662478850000000e-04 |
2.830000000000000e-11 |
4.999999980020986e-12 |
PASS |
| Pressure (GPa) |
1.665959415000000e+01 |
1.665959420000000e+01 |
8.330000000000000e-07 |
-5.000000058430487e-08 |
PASS |
| Kinetic stress (11) |
9.361438596999999e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
9.999986949615902e-13 |
PASS |
| Kinetic stress (12) |
-6.471060666000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.576618988933400e-15 |
PASS |
| Kinetic stress (13) |
-6.989719540000000e-16 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
1.551428430000001e-16 |
PASS |
| Kinetic stress (21) |
-6.471060666000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.576618988933400e-15 |
PASS |
| Kinetic stress (22) |
9.361438596000001e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (23) |
-6.443666347000000e-15 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
-5.951627157500000e-15 |
PASS |
| Kinetic stress (31) |
-6.989719540000000e-16 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
1.551428430000001e-16 |
PASS |
| Kinetic stress (32) |
-6.443666347000000e-15 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
-5.951627157500000e-15 |
PASS |
| Kinetic stress (33) |
9.361438596000001e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Hartree stress (11) |
8.859962925000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
9.999997791637627e-14 |
PASS |
| Hartree stress (12) |
2.004412065000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.004412065000000e-19 |
PASS |
| Hartree stress (13) |
-3.313077793000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.313077793000000e-21 |
PASS |
| Hartree stress (21) |
2.004412065000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.004412065000000e-19 |
PASS |
| Hartree stress (22) |
8.859962925000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
9.999997791637627e-14 |
PASS |
| Hartree stress (23) |
1.932628713000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.932628713000000e-21 |
PASS |
| Hartree stress (31) |
-3.313077793000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.313077793000000e-21 |
PASS |
| Hartree stress (32) |
1.932628713000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.932628713000000e-21 |
PASS |
| Hartree stress (33) |
8.859962925000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
9.999997791637627e-14 |
PASS |
| XC stress (11) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (12) |
-9.050970558000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-9.050970558000000e-21 |
PASS |
| XC stress (13) |
2.998030765000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.998030765000000e-20 |
PASS |
| XC stress (21) |
-9.050970558000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-9.050970558000000e-21 |
PASS |
| XC stress (22) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
-8.007425967000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-8.007425967000000e-21 |
PASS |
| XC stress (31) |
2.998030765000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.998030765000000e-20 |
PASS |
| XC stress (32) |
-8.007425967000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-8.007425967000000e-21 |
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) |
-4.559343973000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.559343973000000e-19 |
PASS |
| Ion-ion stress (13) |
5.974689174000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
5.974689174000000e-20 |
PASS |
| Ion-ion stress (21) |
-4.559479503000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.559479503000000e-19 |
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 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.303989486000000e-19 |
PASS |
| Ion-ion stress (31) |
5.974520406000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
5.974520406000000e-20 |
PASS |
| Ion-ion stress (32) |
-1.303989023000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.303989023000000e-19 |
PASS |
| Ion-ion stress (33) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Stress (11) |
-5.662478897000000e-04 |
-5.662478856000000e-04 |
8.850000000000000e-12 |
-4.099999961933165e-12 |
PASS |
| Stress (12) |
7.519468238000000e-19 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.669809523762001e-16 |
PASS |
| Stress (13) |
1.387575022000000e-15 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-3.146102660000001e-16 |
PASS |
| Stress (21) |
7.519603767000000e-19 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.669809458233000e-16 |
PASS |
| Stress (22) |
-5.662478896000000e-04 |
-5.662478852000001e-04 |
8.640000000000000e-12 |
-4.399999895682294e-12 |
PASS |
| Stress (23) |
1.269256861000000e-14 |
1.173998455000000e-15 |
1.270000000000000e-14 |
1.151857015500000e-14 |
PASS |
| Stress (31) |
1.387575024000000e-15 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-3.146102640000000e-16 |
PASS |
| Stress (32) |
1.269256861000000e-14 |
1.173998455000000e-15 |
1.270000000000000e-14 |
1.151857015500000e-14 |
PASS |
| Stress (33) |
-5.662478893000000e-04 |
-5.662478851000000e-04 |
8.800000000000000e-12 |
-4.200000048269759e-12 |
PASS |