Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.654916850000000e-04 |
5.654916880000001e-04 |
2.830000000000000e-11 |
-3.000000096432809e-12 |
PASS |
| Pressure (GPa) |
1.663734585000000e+01 |
1.663734593000000e+01 |
1.540000000000000e-07 |
-7.999999951380232e-08 |
PASS |
| Kinetic stress (11) |
9.361514552000001e-03 |
9.361514553000000e-03 |
4.680000000000000e-11 |
-9.999986949615902e-13 |
PASS |
| Kinetic stress (12) |
5.464378949000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
5.464378949000000e-19 |
PASS |
| Kinetic stress (13) |
2.359223927000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.359223927000000e-19 |
PASS |
| Kinetic stress (21) |
5.464378949000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
5.464378949000000e-19 |
PASS |
| Kinetic stress (22) |
9.361514552000001e-03 |
9.361514554000000e-03 |
4.680000000000000e-11 |
-1.999999124646656e-12 |
PASS |
| Kinetic stress (23) |
1.165734176000000e-18 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.165734176000000e-18 |
PASS |
| Kinetic stress (31) |
2.359223927000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.359223927000000e-19 |
PASS |
| Kinetic stress (32) |
1.165734176000000e-18 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.165734176000000e-18 |
PASS |
| Kinetic stress (33) |
9.361514552000001e-03 |
9.361514553000000e-03 |
4.680000000000000e-11 |
-9.999986949615902e-13 |
PASS |
| Hartree stress (11) |
8.860627342000000e-04 |
8.860627345999999e-04 |
4.430000000000000e-12 |
-3.999999116655051e-13 |
PASS |
| Hartree stress (12) |
-1.877410749000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.877410749000000e-20 |
PASS |
| Hartree stress (13) |
-4.417437058000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.417437058000000e-20 |
PASS |
| Hartree stress (21) |
-1.877410749000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.877410749000000e-20 |
PASS |
| Hartree stress (22) |
8.860627342000000e-04 |
8.860627345999999e-04 |
4.430000000000000e-12 |
-3.999999116655051e-13 |
PASS |
| Hartree stress (23) |
1.987846676000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.987846676000000e-20 |
PASS |
| Hartree stress (31) |
-4.417437058000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.417437058000000e-20 |
PASS |
| Hartree stress (32) |
1.987846676000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.987846676000000e-20 |
PASS |
| Hartree stress (33) |
8.860627342000000e-04 |
8.860627345999999e-04 |
4.430000000000000e-12 |
-3.999999116655051e-13 |
PASS |
| XC stress (11) |
-3.734288397000000e-03 |
-3.734288397500000e-03 |
1.650000000000000e-12 |
5.000006485234021e-13 |
PASS |
| XC stress (12) |
-3.469446952000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.469446952000000e-21 |
PASS |
| XC stress (13) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-15 |
0.000000000000000e+00 |
PASS |
| XC stress (21) |
-3.469446952000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.469446952000000e-21 |
PASS |
| XC stress (22) |
-3.734288397000000e-03 |
-3.734288397500000e-03 |
1.650000000000000e-12 |
5.000006485234021e-13 |
PASS |
| XC stress (23) |
2.775557562000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.775557562000000e-20 |
PASS |
| XC stress (31) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-15 |
0.000000000000000e+00 |
PASS |
| XC stress (32) |
2.775557562000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.775557562000000e-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) |
-3.027589048000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.027589048000000e-19 |
PASS |
| Ion-ion stress (13) |
1.566172853000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.566172853000000e-19 |
PASS |
| Ion-ion stress (21) |
-3.027741915000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.027741915000000e-19 |
PASS |
| Ion-ion stress (22) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (23) |
1.907308227000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.907308227000000e-19 |
PASS |
| Ion-ion stress (31) |
1.566156241000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.566156241000000e-19 |
PASS |
| Ion-ion stress (32) |
1.907172239000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.907172239000000e-19 |
PASS |
| Ion-ion stress (33) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Stress (11) |
-5.654916854000000e-04 |
-5.654916880999999e-04 |
5.280000000000000e-12 |
2.699999945843246e-12 |
PASS |
| Stress (12) |
-8.348460517000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-8.348460517000000e-20 |
PASS |
| Stress (13) |
-3.004380771000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.004380771000000e-19 |
PASS |
| Stress (21) |
-8.346931846000001e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-8.346931846000001e-20 |
PASS |
| Stress (22) |
-5.654916853000000e-04 |
-5.654916881999999e-04 |
4.950000000000000e-12 |
2.899999901675998e-12 |
PASS |
| Stress (23) |
-1.944407073000000e-18 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.944407073000000e-18 |
PASS |
| Stress (31) |
-3.004364158000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.004364158000000e-19 |
PASS |
| Stress (32) |
-1.944393474000000e-18 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.944393474000000e-18 |
PASS |
| Stress (33) |
-5.654916853000000e-04 |
-5.654916880000001e-04 |
5.060000000000000e-12 |
2.700000054263463e-12 |
PASS |