Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.662478870000000e-04 |
5.662478900000000e-04 |
4.400000000000000e-12 |
-2.999999988012592e-12 |
PASS |
| Pressure (GPa) |
1.665959407000000e+01 |
1.665959420000000e+01 |
8.330000000000000e-07 |
-1.300000000981072e-07 |
PASS |
| Kinetic stress (11) |
9.361438595000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-1.000000429685066e-12 |
PASS |
| Kinetic stress (12) |
1.387778781000000e-20 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.577279972787810e-15 |
PASS |
| Kinetic stress (13) |
4.440892099000000e-19 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.924352591790100e-15 |
PASS |
| Kinetic stress (21) |
1.387778781000000e-20 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.577279972787810e-15 |
PASS |
| Kinetic stress (22) |
9.361438595000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-1.000000429685066e-12 |
PASS |
| Kinetic stress (23) |
-3.330669074000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.078782003926000e-16 |
PASS |
| Kinetic stress (31) |
4.440892099000000e-19 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.924352591790100e-15 |
PASS |
| Kinetic stress (32) |
-3.330669074000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.078782003926000e-16 |
PASS |
| Kinetic stress (33) |
9.361438595000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-1.000000429685066e-12 |
PASS |
| Hartree stress (11) |
8.859962919000001e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-4.999999980020986e-13 |
PASS |
| Hartree stress (12) |
9.055745968000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
9.055745968000000e-20 |
PASS |
| Hartree stress (13) |
-1.021532320000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.021532320000000e-20 |
PASS |
| Hartree stress (21) |
9.055745968000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
9.055745968000000e-20 |
PASS |
| Hartree stress (22) |
8.859962919000001e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-4.999999980020986e-13 |
PASS |
| Hartree stress (23) |
1.380449080000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.380449080000000e-20 |
PASS |
| Hartree stress (31) |
-1.021532320000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.021532320000000e-20 |
PASS |
| Hartree stress (32) |
1.380449080000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.380449080000000e-20 |
PASS |
| Hartree stress (33) |
8.859962919000001e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-4.999999980020986e-13 |
PASS |
| XC stress (11) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (12) |
9.818170649999999e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
9.818170649999999e-21 |
PASS |
| XC stress (13) |
-1.923844757000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.923844757000000e-20 |
PASS |
| XC stress (21) |
9.818170649999999e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
9.818170649999999e-21 |
PASS |
| XC stress (22) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
7.026350056000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
7.026350056000000e-21 |
PASS |
| XC stress (31) |
-1.923844757000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.923844757000000e-20 |
PASS |
| XC stress (32) |
7.026350056000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
7.026350056000000e-21 |
PASS |
| XC stress (33) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-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) |
-4.559343973000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.559343973000000e-19 |
PASS |
| Ion-ion stress (13) |
5.974689174000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
5.974689174000000e-20 |
PASS |
| Ion-ion stress (21) |
-4.559479503000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.559479503000000e-19 |
PASS |
| Ion-ion stress (22) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (23) |
-1.303989486000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.303989486000000e-19 |
PASS |
| Ion-ion stress (31) |
5.974520406000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
5.974520406000000e-20 |
PASS |
| Ion-ion stress (32) |
-1.303989023000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.303989023000000e-19 |
PASS |
| Ion-ion stress (33) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Stress (11) |
-5.662478865000000e-04 |
-5.662478899000000e-04 |
4.180000000000000e-12 |
3.400000008098314e-12 |
PASS |
| Stress (12) |
1.925664602000000e-19 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.675403327398002e-16 |
PASS |
| Stress (13) |
-9.531822866999999e-19 |
-4.453374438000000e-15 |
4.900000000000000e-15 |
4.452421255713300e-15 |
PASS |
| Stress (21) |
1.925800131000000e-19 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.675403261868999e-16 |
PASS |
| Stress (22) |
-5.662478867000000e-04 |
-5.662478899500000e-04 |
4.130000000000000e-12 |
3.249999987013641e-12 |
PASS |
| Stress (23) |
5.172132386000000e-19 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.393853303761400e-15 |
PASS |
| Stress (31) |
-9.531805989999999e-19 |
-4.453374436000000e-15 |
4.900000000000000e-15 |
4.452421255401000e-15 |
PASS |
| Stress (32) |
5.172131924000000e-19 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.393853303807600e-15 |
PASS |
| Stress (33) |
-5.662478865000000e-04 |
-5.662478901500000e-04 |
4.230000000000000e-12 |
3.650000007099363e-12 |
PASS |