Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.662478870000000e-04 |
5.662478850000000e-04 |
2.830000000000000e-11 |
1.999999992008394e-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) |
9.436895708999999e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.578209784570900e-15 |
PASS |
| Kinetic stress (13) |
-1.561251128000000e-18 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
8.525535458720001e-16 |
PASS |
| Kinetic stress (21) |
9.436895708999999e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.578209784570900e-15 |
PASS |
| Kinetic stress (22) |
9.361438595000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-1.000000429685066e-12 |
PASS |
| Kinetic stress (23) |
-5.551115123000000e-19 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
4.914840779876999e-16 |
PASS |
| Kinetic stress (31) |
-1.561251128000000e-18 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
8.525535458720001e-16 |
PASS |
| Kinetic stress (32) |
-5.551115123000000e-19 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
4.914840779876999e-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) |
-4.030911315000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.030911315000000e-20 |
PASS |
| Hartree stress (13) |
-8.282694483000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-8.282694483000000e-21 |
PASS |
| Hartree stress (21) |
-4.030911315000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.030911315000000e-20 |
PASS |
| Hartree stress (22) |
8.859962919000001e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-4.999999980020986e-13 |
PASS |
| Hartree stress (23) |
-3.589167609000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.589167609000000e-21 |
PASS |
| Hartree stress (31) |
-8.282694483000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-8.282694483000000e-21 |
PASS |
| Hartree stress (32) |
-3.589167609000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.589167609000000e-21 |
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) |
1.185359082000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.185359082000000e-20 |
PASS |
| XC stress (13) |
1.358831430000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.358831430000000e-20 |
PASS |
| XC stress (21) |
1.185359082000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.185359082000000e-20 |
PASS |
| XC stress (22) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
1.976826668000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.976826668000000e-20 |
PASS |
| XC stress (31) |
1.358831430000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.358831430000000e-20 |
PASS |
| XC stress (32) |
1.976826668000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.976826668000000e-20 |
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 |
-5.662478856000000e-04 |
8.850000000000000e-12 |
-9.000000180878209e-13 |
PASS |
| Stress (12) |
-9.626463242000000e-19 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.686955455242002e-16 |
PASS |
| Stress (13) |
2.003257835000000e-18 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-1.700182030165000e-15 |
PASS |
| Stress (21) |
-9.626327713000000e-19 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.686955389712999e-16 |
PASS |
| Stress (22) |
-5.662478866000000e-04 |
-5.662478852000001e-04 |
9.570000000000001e-12 |
-1.399999907669702e-12 |
PASS |
| Stress (23) |
6.227989716000000e-19 |
1.173998455000000e-15 |
1.270000000000000e-14 |
-1.173375656028400e-15 |
PASS |
| Stress (31) |
2.003259523000000e-18 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-1.700182028477000e-15 |
PASS |
| Stress (32) |
6.227989253000000e-19 |
1.173998455000000e-15 |
1.270000000000000e-14 |
-1.173375656074700e-15 |
PASS |
| Stress (33) |
-5.662478865000000e-04 |
-5.662478851000000e-04 |
9.680000000000001e-12 |
-1.400000016089920e-12 |
PASS |