Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.662478940000000e-04 |
5.662478850000000e-04 |
2.830000000000000e-11 |
8.999999964037775e-12 |
PASS |
| Pressure (GPa) |
1.665959428000000e+01 |
1.665959420000000e+01 |
8.330000000000000e-07 |
7.999999951380232e-08 |
PASS |
| Kinetic stress (11) |
9.361438599000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
2.999999554331723e-12 |
PASS |
| Kinetic stress (12) |
-1.887379142000000e-18 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.575378715858000e-15 |
PASS |
| Kinetic stress (13) |
-5.551115123000000e-19 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
8.535596854877001e-16 |
PASS |
| Kinetic stress (21) |
-1.887379142000000e-18 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.575378715858000e-15 |
PASS |
| Kinetic stress (22) |
9.361438599000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
2.999999554331723e-12 |
PASS |
| Kinetic stress (23) |
2.220446049000000e-19 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
4.922612341049000e-16 |
PASS |
| Kinetic stress (31) |
-5.551115123000000e-19 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
8.535596854877001e-16 |
PASS |
| Kinetic stress (32) |
2.220446049000000e-19 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
4.922612341049000e-16 |
PASS |
| Kinetic stress (33) |
9.361438599000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
2.999999554331723e-12 |
PASS |
| Hartree stress (11) |
8.859962934000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
9.999999960041972e-13 |
PASS |
| Hartree stress (12) |
1.292100339000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.292100339000000e-19 |
PASS |
| Hartree stress (13) |
2.733289179000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.733289179000000e-20 |
PASS |
| Hartree stress (21) |
1.292100339000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.292100339000000e-19 |
PASS |
| Hartree stress (22) |
8.859962934000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
9.999999960041972e-13 |
PASS |
| Hartree stress (23) |
-1.987846676000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.987846676000000e-20 |
PASS |
| Hartree stress (31) |
2.733289179000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.733289179000000e-20 |
PASS |
| Hartree stress (32) |
-1.987846676000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.987846676000000e-20 |
PASS |
| Hartree stress (33) |
8.859962934000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
9.999999960041972e-13 |
PASS |
| XC stress (11) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (12) |
6.408651279000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
6.408651279000000e-21 |
PASS |
| XC stress (13) |
2.202116256000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.202116256000000e-20 |
PASS |
| XC stress (21) |
6.408651279000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
6.408651279000000e-21 |
PASS |
| XC stress (22) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
-1.129094919000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.129094919000000e-20 |
PASS |
| XC stress (31) |
2.202116256000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.202116256000000e-20 |
PASS |
| XC stress (32) |
-1.129094919000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.129094919000000e-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) |
-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) |
-5.662478937000000e-04 |
-5.662478856000000e-04 |
8.850000000000000e-12 |
-8.100000054370171e-12 |
PASS |
| Stress (12) |
2.987660030000000e-18 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.647452391700000e-16 |
PASS |
| Stress (13) |
4.379091768000000e-19 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-1.701747378823200e-15 |
PASS |
| Stress (21) |
2.987673583000000e-18 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.647452326169999e-16 |
PASS |
| Stress (22) |
-5.662478937000000e-04 |
-5.662478852000001e-04 |
9.570000000000001e-12 |
-8.499999966035676e-12 |
PASS |
| Stress (23) |
-4.302720143000000e-20 |
1.173998455000000e-15 |
1.270000000000000e-14 |
-1.174041482201430e-15 |
PASS |
| Stress (31) |
4.379108645000000e-19 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-1.701747377135500e-15 |
PASS |
| Stress (32) |
-4.302724772000000e-20 |
1.173998455000000e-15 |
1.270000000000000e-14 |
-1.174041482247720e-15 |
PASS |
| Stress (33) |
-5.662478936000000e-04 |
-5.662478851000000e-04 |
9.680000000000001e-12 |
-8.499999966035676e-12 |
PASS |