Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.654916900000000e-04 |
5.654916880000001e-04 |
2.830000000000000e-11 |
1.999999883588177e-12 |
PASS |
| Pressure (GPa) |
1.663734598000000e+01 |
1.663734593000000e+01 |
1.540000000000000e-07 |
5.000000058430487e-08 |
PASS |
| Kinetic stress (11) |
9.361514554000000e-03 |
9.361514553000000e-03 |
4.680000000000000e-11 |
1.000000429685066e-12 |
PASS |
| Kinetic stress (12) |
-4.440892099000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.440892099000000e-19 |
PASS |
| Kinetic stress (13) |
-1.665334537000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.665334537000000e-19 |
PASS |
| Kinetic stress (21) |
-4.440892099000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.440892099000000e-19 |
PASS |
| Kinetic stress (22) |
9.361514554000000e-03 |
9.361514554000000e-03 |
4.680000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Kinetic stress (23) |
-2.220446049000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.220446049000000e-19 |
PASS |
| Kinetic stress (31) |
-1.665334537000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.665334537000000e-19 |
PASS |
| Kinetic stress (32) |
-2.220446049000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.220446049000000e-19 |
PASS |
| Kinetic stress (33) |
9.361514554000000e-03 |
9.361514553000000e-03 |
4.680000000000000e-11 |
1.000000429685066e-12 |
PASS |
| Hartree stress (11) |
8.860627348000000e-04 |
8.860627345999999e-04 |
4.430000000000000e-12 |
2.000000642529698e-13 |
PASS |
| Hartree stress (12) |
-2.650462235000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.650462235000000e-19 |
PASS |
| Hartree stress (13) |
3.064596959000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.064596959000000e-20 |
PASS |
| Hartree stress (21) |
-2.650462235000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.650462235000000e-19 |
PASS |
| Hartree stress (22) |
8.860627348000000e-04 |
8.860627345999999e-04 |
4.430000000000000e-12 |
2.000000642529698e-13 |
PASS |
| Hartree stress (23) |
1.380449080000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.380449080000000e-21 |
PASS |
| Hartree stress (31) |
3.064596959000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.064596959000000e-20 |
PASS |
| Hartree stress (32) |
1.380449080000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.380449080000000e-21 |
PASS |
| Hartree stress (33) |
8.860627348000000e-04 |
8.860627345999999e-04 |
4.430000000000000e-12 |
2.000000642529698e-13 |
PASS |
| XC stress (11) |
-3.734288398000000e-03 |
-3.734288397500000e-03 |
1.650000000000000e-12 |
-4.999993474807951e-13 |
PASS |
| XC stress (12) |
8.498090977000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
8.498090977000000e-20 |
PASS |
| XC stress (13) |
2.773503507000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.773503507000000e-20 |
PASS |
| XC stress (21) |
8.498090977000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
8.498090977000000e-20 |
PASS |
| XC stress (22) |
-3.734288398000000e-03 |
-3.734288397500000e-03 |
1.650000000000000e-12 |
-4.999993474807951e-13 |
PASS |
| XC stress (23) |
5.386917786000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
5.386917786000000e-21 |
PASS |
| XC stress (31) |
2.773503507000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.773503507000000e-20 |
PASS |
| XC stress (32) |
5.386917786000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
5.386917786000000e-21 |
PASS |
| XC stress (33) |
-3.734288398000000e-03 |
-3.734288397500000e-03 |
1.650000000000000e-12 |
-4.999993474807951e-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) |
-5.654916897000000e-04 |
-5.654916880999999e-04 |
5.280000000000000e-12 |
-1.600000080342889e-12 |
PASS |
| Stress (12) |
1.793377150000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.793377150000000e-19 |
PASS |
| Stress (13) |
-1.092034913000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.092034913000000e-19 |
PASS |
| Stress (21) |
1.793377150000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.793377150000000e-19 |
PASS |
| Stress (22) |
-5.654916895000000e-04 |
-5.654916881999999e-04 |
4.950000000000000e-12 |
-1.300000038173543e-12 |
PASS |
| Stress (23) |
4.471566126000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
4.471566126000000e-19 |
PASS |
| Stress (31) |
-1.092034913000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.092034913000000e-19 |
PASS |
| Stress (32) |
4.471566126000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
4.471566126000000e-19 |
PASS |
| Stress (33) |
-5.654916897000000e-04 |
-5.654916880000001e-04 |
5.060000000000000e-12 |
-1.699999949839048e-12 |
PASS |