Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.662478860000000e-04 |
5.662478850000000e-04 |
2.830000000000000e-11 |
9.999999960041972e-13 |
PASS |
| Pressure (GPa) |
1.665959406000000e+01 |
1.665959420000000e+01 |
8.330000000000000e-07 |
-1.400000009255109e-07 |
PASS |
| Kinetic stress (11) |
9.361438594000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-2.000000859370132e-12 |
PASS |
| Kinetic stress (12) |
-1.110223025000000e-18 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.576155871975000e-15 |
PASS |
| Kinetic stress (13) |
1.054711873000000e-18 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
8.551695088730001e-16 |
PASS |
| Kinetic stress (21) |
-1.110223025000000e-18 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.576155871975000e-15 |
PASS |
| Kinetic stress (22) |
9.361438594000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-2.000000859370132e-12 |
PASS |
| Kinetic stress (23) |
-4.440892099000000e-19 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
4.915951002901000e-16 |
PASS |
| Kinetic stress (31) |
1.054711873000000e-18 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
8.551695088730001e-16 |
PASS |
| Kinetic stress (32) |
-4.440892099000000e-19 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
4.915951002901000e-16 |
PASS |
| Kinetic stress (33) |
9.361438594000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-2.000000859370132e-12 |
PASS |
| Hartree stress (11) |
8.859962921000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-3.000000421693461e-13 |
PASS |
| Hartree stress (12) |
-2.401981400000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.401981400000000e-20 |
PASS |
| Hartree stress (13) |
2.236327510000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.236327510000000e-20 |
PASS |
| Hartree stress (21) |
-2.401981400000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.401981400000000e-20 |
PASS |
| Hartree stress (22) |
8.859962921000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-3.000000421693461e-13 |
PASS |
| Hartree stress (23) |
-9.939233380000001e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-9.939233380000001e-21 |
PASS |
| Hartree stress (31) |
2.236327510000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.236327510000000e-20 |
PASS |
| Hartree stress (32) |
-9.939233380000001e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-9.939233380000001e-21 |
PASS |
| Hartree stress (33) |
8.859962921000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-3.000000421693461e-13 |
PASS |
| XC stress (11) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (12) |
-1.288760629000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.288760629000000e-20 |
PASS |
| XC stress (13) |
-4.758207581000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.758207581000000e-20 |
PASS |
| XC stress (21) |
-1.288760629000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.288760629000000e-20 |
PASS |
| XC stress (22) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
7.503441363000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
7.503441363000000e-20 |
PASS |
| XC stress (31) |
-4.758207581000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.758207581000000e-20 |
PASS |
| XC stress (32) |
7.503441363000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
7.503441363000000e-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) |
-4.523568278000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.523568278000000e-19 |
PASS |
| Ion-ion stress (13) |
8.918692209000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
8.918692209000000e-20 |
PASS |
| Ion-ion stress (21) |
-4.523568807000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.523568807000000e-19 |
PASS |
| Ion-ion stress (22) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (23) |
8.963465368000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
8.963465368000000e-20 |
PASS |
| Ion-ion stress (31) |
8.918689560000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
8.918689560000000e-20 |
PASS |
| Ion-ion stress (32) |
8.963464045000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
8.963464045000000e-20 |
PASS |
| Ion-ion stress (33) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Stress (11) |
-5.662478863000001e-04 |
-5.662478856000000e-04 |
8.850000000000000e-12 |
-7.000000622550684e-13 |
PASS |
| Stress (12) |
1.853915607000000e-18 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.658789835930001e-16 |
PASS |
| Stress (13) |
-1.572539283000000e-18 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-1.703757827283000e-15 |
PASS |
| Stress (21) |
1.853915659000000e-18 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.658789905410000e-16 |
PASS |
| Stress (22) |
-5.662478862000000e-04 |
-5.662478852000001e-04 |
9.570000000000001e-12 |
-9.999998875839800e-13 |
PASS |
| Stress (23) |
3.807177061000000e-21 |
1.173998455000000e-15 |
1.270000000000000e-14 |
-1.173994647822939e-15 |
PASS |
| Stress (31) |
-1.572539256000000e-18 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-1.703757827256000e-15 |
PASS |
| Stress (32) |
3.807190296000000e-21 |
1.173998455000000e-15 |
1.270000000000000e-14 |
-1.173994647809704e-15 |
PASS |
| Stress (33) |
-5.662478864000000e-04 |
-5.662478851000000e-04 |
9.680000000000001e-12 |
-1.300000038173543e-12 |
PASS |