| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Stress (11) |
6.641111311000000e-03 |
6.671558669000000e-03 |
1.100000000000000e-04 |
-3.044735799999972e-05 |
PASS |
| Stress (12) |
-3.100484970000000e-14 |
-4.361244986000000e-05 |
1.100000000000000e-04 |
4.361244982899515e-05 |
PASS |
| Stress (13) |
-1.279684633000000e-14 |
7.598055504000001e-05 |
1.100000000000000e-04 |
-7.598055505279686e-05 |
PASS |
| Stress (21) |
-3.100484970000000e-14 |
-4.361244986000000e-05 |
1.100000000000000e-04 |
4.361244982899515e-05 |
PASS |
| Stress (22) |
6.641111311000000e-03 |
6.667633748000000e-03 |
1.100000000000000e-04 |
-2.652243699999973e-05 |
PASS |
| Stress (23) |
-9.783686998000000e-15 |
5.175163974000000e-05 |
1.100000000000000e-04 |
-5.175163974978369e-05 |
PASS |
| Stress (31) |
-1.279684633000000e-14 |
7.598055504000001e-05 |
1.100000000000000e-04 |
-7.598055505279686e-05 |
PASS |
| Stress (32) |
-9.783686998000000e-15 |
5.175163974000000e-05 |
1.100000000000000e-04 |
-5.175163974978369e-05 |
PASS |
| Stress (33) |
6.641111311000000e-03 |
6.630922320000000e-03 |
1.100000000000000e-04 |
1.018899100000033e-05 |
PASS |
| Pressure (H/b^3) |
-6.641111310000000e-03 |
-6.656704910000000e-03 |
1.100000000000000e-04 |
1.559359999999971e-05 |
PASS |
| Pressure (GPa) |
-1.953883117600000e+02 |
-1.958470915200000e+02 |
1.100000000000000e-04 |
4.587797599999988e-01 |
FAIL |
| Kinetic stress (11) |
1.050163768000000e-02 |
1.050163768000000e-02 |
5.250000000000000e-11 |
-1.734723475976807e-18 |
PASS |
| Kinetic stress (12) |
1.770628089000000e-14 |
7.178671366000000e-05 |
1.000000000000000e-04 |
-7.178671364229372e-05 |
PASS |
| Kinetic stress (13) |
5.212441589000000e-15 |
-5.529174315000000e-05 |
1.000000000000000e-04 |
5.529174315521245e-05 |
PASS |
| Kinetic stress (21) |
1.770628089000000e-14 |
7.178671366000000e-05 |
1.000000000000000e-04 |
-7.178671364229372e-05 |
PASS |
| Kinetic stress (22) |
1.050163768000000e-02 |
1.050163768000000e-02 |
5.250000000000000e-11 |
-1.734723475976807e-18 |
PASS |
| Kinetic stress (23) |
1.216234058000000e-14 |
6.562294731999999e-05 |
1.000000000000000e-04 |
-6.562294730783766e-05 |
PASS |
| Kinetic stress (31) |
5.212441589000000e-15 |
-5.529174315000000e-05 |
1.000000000000000e-04 |
5.529174315521245e-05 |
PASS |
| Kinetic stress (32) |
1.216234058000000e-14 |
6.562294731999999e-05 |
1.000000000000000e-04 |
-6.562294730783766e-05 |
PASS |
| Kinetic stress (33) |
1.050163768000000e-02 |
1.050163768000000e-02 |
5.250000000000000e-11 |
-1.734723475976807e-18 |
PASS |
| Hartree stress (11) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Hartree stress (12) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Hartree stress (13) |
0.000000000000000e+00 |
-6.586250444000000e-05 |
1.000000000000000e-04 |
6.586250444000000e-05 |
PASS |
| Hartree stress (21) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Hartree stress (22) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Hartree stress (23) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Hartree stress (31) |
0.000000000000000e+00 |
-6.586250444000000e-05 |
1.000000000000000e-04 |
6.586250444000000e-05 |
PASS |
| Hartree stress (32) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Hartree stress (33) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (11) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (12) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (13) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (21) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (22) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (31) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (32) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| XC stress (33) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Pseudopotential stress (11) |
7.465789711000000e-03 |
6.049504587000000e-03 |
1.000000000000000e-04 |
1.416285124000000e-03 |
FAIL |
| Pseudopotential stress (12) |
1.329911181000000e-14 |
-9.211717667000001e-04 |
1.000000000000000e-04 |
9.211717667132992e-04 |
FAIL |
| Pseudopotential stress (13) |
7.584294304000001e-15 |
5.161728500000000e-04 |
1.000000000000000e-04 |
-5.161728499924157e-04 |
FAIL |
| Pseudopotential stress (21) |
1.329911181000000e-14 |
1.460134380000000e-04 |
1.000000000000000e-04 |
-1.460134379867009e-04 |
FAIL |
| Pseudopotential stress (22) |
7.465789711000000e-03 |
5.097509393000000e-03 |
1.000000000000000e-04 |
2.368280318000000e-03 |
FAIL |
| Pseudopotential stress (23) |
-2.378659769000000e-15 |
-1.361808861000000e-03 |
1.000000000000000e-04 |
1.361808860997621e-03 |
FAIL |
| Pseudopotential stress (31) |
7.584294304000001e-15 |
-8.051288476000000e-05 |
1.000000000000000e-04 |
8.051288476758429e-05 |
PASS |
| Pseudopotential stress (32) |
-2.378659769000000e-15 |
2.093952519000000e-04 |
1.000000000000000e-04 |
-2.093952519023786e-04 |
FAIL |
| Pseudopotential stress (33) |
7.465789711000000e-03 |
5.499784882999999e-03 |
1.000000000000000e-04 |
1.966004828000001e-03 |
FAIL |
| Ion-ion stress (11) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (12) |
-5.494876839000000e-19 |
-4.261232943000000e-19 |
1.360000000000000e-19 |
-1.233643896000000e-19 |
PASS |
| Ion-ion stress (13) |
1.030767272000000e-19 |
1.081820885000000e-19 |
5.330000000000000e-20 |
-5.105361300000006e-21 |
PASS |
| Ion-ion stress (21) |
-5.494876839000000e-19 |
-4.261309377000000e-19 |
1.360000000000000e-19 |
-1.233567462000000e-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 |
3.016593705000000e-20 |
1.770000000000000e-19 |
-3.793649891000000e-20 |
PASS |
| Ion-ion stress (31) |
1.030767272000000e-19 |
1.081804141000000e-19 |
5.330000000000000e-20 |
-5.103686900000004e-21 |
PASS |
| Ion-ion stress (32) |
-7.770561860000000e-21 |
3.015916080000000e-20 |
1.770000000000000e-19 |
-3.792972266000000e-20 |
PASS |
| Ion-ion stress (33) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |