Name |
Value |
Reference |
Precision |
Difference |
Status |
Stress (11) |
-4.769687688000000e-03 |
-4.769687688000000e-03 |
2.380000000000000e-11 |
0.000000000000000e+00 |
PASS |
Stress (12) |
-3.100473439000000e-14 |
9.312622314999999e-15 |
1.060000000000000e-13 |
-4.031735670500000e-14 |
PASS |
Stress (13) |
-1.279686263000000e-14 |
1.091940018000000e-14 |
1.060000000000000e-13 |
-2.371626281000000e-14 |
PASS |
Stress (21) |
-3.100473439000000e-14 |
9.312622324999999e-15 |
1.060000000000000e-13 |
-4.031735671500000e-14 |
PASS |
Stress (22) |
-4.769687688000000e-03 |
-4.769687688000000e-03 |
2.380000000000000e-11 |
0.000000000000000e+00 |
PASS |
Stress (23) |
-9.783351083999999e-15 |
1.536795500000000e-15 |
1.280000000000000e-13 |
-1.132014658400000e-14 |
PASS |
Stress (31) |
-1.279686263000000e-14 |
1.091940018000000e-14 |
1.060000000000000e-13 |
-2.371626281000000e-14 |
PASS |
Stress (32) |
-9.783351083999999e-15 |
1.536795500000000e-15 |
1.280000000000000e-13 |
-1.132014658400000e-14 |
PASS |
Stress (33) |
-4.769687688000000e-03 |
-4.769687687000000e-03 |
2.380000000000000e-11 |
-9.999995623233282e-13 |
PASS |
Kinetic stress (11) |
1.050163768000000e-02 |
1.050163768000000e-02 |
5.250000000000000e-11 |
-1.734723475976807e-18 |
PASS |
Kinetic stress (12) |
1.770628089000000e-14 |
6.450867639999999e-15 |
1.090000000000000e-13 |
1.125541325000000e-14 |
PASS |
Kinetic stress (13) |
5.212441589000000e-15 |
3.159417150000000e-15 |
1.250000000000000e-13 |
2.053024439000000e-15 |
PASS |
Kinetic stress (21) |
1.770628089000000e-14 |
6.450867639999999e-15 |
1.090000000000000e-13 |
1.125541325000000e-14 |
PASS |
Kinetic stress (22) |
1.050163768000000e-02 |
1.050163768000000e-02 |
5.250000000000000e-11 |
-1.734723475976807e-18 |
PASS |
Kinetic stress (23) |
1.216234058000000e-14 |
3.094424110000000e-14 |
1.470000000000000e-13 |
-1.878190052000000e-14 |
PASS |
Kinetic stress (31) |
5.212441589000000e-15 |
3.159417150000000e-15 |
1.250000000000000e-13 |
2.053024439000000e-15 |
PASS |
Kinetic stress (32) |
1.216234058000000e-14 |
3.094424110000000e-14 |
1.470000000000000e-13 |
-1.878190052000000e-14 |
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-10 |
0.000000000000000e+00 |
PASS |
Hartree stress (12) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
Hartree stress (13) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
Hartree stress (21) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
Hartree stress (22) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
Hartree stress (23) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
Hartree stress (31) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
Hartree stress (32) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
Hartree stress (33) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
XC stress (11) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
XC stress (12) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
XC stress (13) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
XC stress (21) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
XC stress (22) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
XC stress (23) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
XC stress (31) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
XC stress (32) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-10 |
0.000000000000000e+00 |
PASS |
XC stress (33) |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-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) |
-5.494876839000000e-19 |
-4.262944281000001e-19 |
1.360000000000000e-19 |
-1.231932558000000e-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 |
-4.263020714000000e-19 |
1.360000000000000e-19 |
-1.231856125000000e-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 |
Pseudopotential stress (11) |
7.465789711000000e-03 |
7.465789711000000e-03 |
7.470000000000000e-17 |
0.000000000000000e+00 |
PASS |
Pseudopotential stress (12) |
1.329911181000000e-14 |
-5.808312165000000e-15 |
3.690000000000000e-14 |
1.910742397500000e-14 |
PASS |
Pseudopotential stress (13) |
7.584294304000001e-15 |
-5.812780799999994e-16 |
3.470000000000000e-14 |
8.165572384000000e-15 |
PASS |
Pseudopotential stress (21) |
1.329911181000000e-14 |
-5.808312165000000e-15 |
3.690000000000000e-14 |
1.910742397500000e-14 |
PASS |
Pseudopotential stress (22) |
7.465789711000000e-03 |
7.465789711000000e-03 |
7.470000000000000e-17 |
0.000000000000000e+00 |
PASS |
Pseudopotential stress (23) |
-2.378659769000000e-15 |
-1.600006932000000e-14 |
3.760000000000000e-14 |
1.362140955100000e-14 |
PASS |
Pseudopotential stress (31) |
7.584294304000001e-15 |
-5.812780799999994e-16 |
3.470000000000000e-14 |
8.165572384000000e-15 |
PASS |
Pseudopotential stress (32) |
-2.378659769000000e-15 |
-1.600006932000000e-14 |
3.760000000000000e-14 |
1.362140955100000e-14 |
PASS |
Pseudopotential stress (33) |
7.465789711000000e-03 |
7.465789711000000e-03 |
7.470000000000000e-17 |
0.000000000000000e+00 |
PASS |
Pressure (H/b^3) |
4.769687690000000e-03 |
4.769687690000001e-03 |
4.770000000000000e-17 |
-8.673617379884035e-19 |
PASS |
Pressure (GPa) |
1.403291077900000e+02 |
1.403291077950000e+02 |
5.500000000000000e-09 |
-5.000003966415534e-09 |
PASS |