Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.654916930000000e-04 |
5.654916880000001e-04 |
2.830000000000000e-11 |
4.999999980020986e-12 |
PASS |
| Pressure (GPa) |
1.663734607000000e+01 |
1.663734593000000e+01 |
1.540000000000000e-07 |
1.400000009255109e-07 |
PASS |
| Kinetic stress (11) |
9.361514554000000e-03 |
9.361514553000000e-03 |
4.680000000000000e-11 |
1.000000429685066e-12 |
PASS |
| Kinetic stress (12) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-15 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (13) |
8.746258925000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
8.746258925000000e-19 |
PASS |
| Kinetic stress (21) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-15 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (22) |
9.361514554000000e-03 |
9.361514554000000e-03 |
4.680000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (23) |
2.579859069000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.579859069000000e-19 |
PASS |
| Kinetic stress (31) |
8.746258925000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
8.746258925000000e-19 |
PASS |
| Kinetic stress (32) |
2.579859069000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.579859069000000e-19 |
PASS |
| Kinetic stress (33) |
9.361514554000000e-03 |
9.361514553000000e-03 |
4.680000000000000e-11 |
1.000000429685066e-12 |
PASS |
| Hartree stress (11) |
8.860627335000000e-04 |
8.860627345999999e-04 |
4.430000000000000e-12 |
-1.099999973920573e-12 |
PASS |
| Hartree stress (12) |
-6.377674752000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-6.377674752000000e-20 |
PASS |
| Hartree stress (13) |
1.325231117000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.325231117000000e-20 |
PASS |
| Hartree stress (21) |
-6.377674752000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-6.377674752000000e-20 |
PASS |
| Hartree stress (22) |
8.860627335000000e-04 |
8.860627345999999e-04 |
4.430000000000000e-12 |
-1.099999973920573e-12 |
PASS |
| Hartree stress (23) |
-1.932628713000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.932628713000000e-21 |
PASS |
| Hartree stress (31) |
1.325231117000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.325231117000000e-20 |
PASS |
| Hartree stress (32) |
-1.932628713000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.932628713000000e-21 |
PASS |
| Hartree stress (33) |
8.860627335000000e-04 |
8.860627345999999e-04 |
4.430000000000000e-12 |
-1.099999973920573e-12 |
PASS |
| XC stress (11) |
-3.734288397000000e-03 |
-3.734288397500000e-03 |
1.650000000000000e-12 |
5.000006485234021e-13 |
PASS |
| XC stress (12) |
-2.584128115000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.584128115000000e-20 |
PASS |
| XC stress (13) |
-7.094409153000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-7.094409153000000e-20 |
PASS |
| XC stress (21) |
-2.584128115000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.584128115000000e-20 |
PASS |
| XC stress (22) |
-3.734288397000000e-03 |
-3.734288397500000e-03 |
1.650000000000000e-12 |
5.000006485234021e-13 |
PASS |
| XC stress (23) |
4.141313486000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
4.141313486000000e-20 |
PASS |
| XC stress (31) |
-7.094409153000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-7.094409153000000e-20 |
PASS |
| XC stress (32) |
4.141313486000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
4.141313486000000e-20 |
PASS |
| XC stress (33) |
-3.734288397000000e-03 |
-3.734288397500000e-03 |
1.650000000000000e-12 |
5.000006485234021e-13 |
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) |
-5.654916928000000e-04 |
-5.654916880999999e-04 |
5.280000000000000e-12 |
-4.700000046271857e-12 |
PASS |
| Stress (12) |
3.574581378000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.574581378000000e-19 |
PASS |
| Stress (13) |
-9.339781854000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-9.339781854000000e-19 |
PASS |
| Stress (21) |
3.574581908000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.574581908000000e-19 |
PASS |
| Stress (22) |
-5.654916927000000e-04 |
-5.654916881999999e-04 |
4.950000000000000e-12 |
-4.500000090439105e-12 |
PASS |
| Stress (23) |
-6.946021964000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-6.946021964000000e-19 |
PASS |
| Stress (31) |
-9.339781589000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-9.339781589000000e-19 |
PASS |
| Stress (32) |
-6.946021831000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-6.946021831000000e-19 |
PASS |
| Stress (33) |
-5.654916928000000e-04 |
-5.654916880000001e-04 |
5.060000000000000e-12 |
-4.799999915768016e-12 |
PASS |