Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.662478930000000e-04 |
5.662478850000000e-04 |
2.830000000000000e-11 |
7.999999968033578e-12 |
PASS |
| Pressure (GPa) |
1.665959427000000e+01 |
1.665959420000000e+01 |
8.330000000000000e-07 |
6.999999868639861e-08 |
PASS |
| Kinetic stress (11) |
9.361438598000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
1.999999124646656e-12 |
PASS |
| Kinetic stress (12) |
9.992007222000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.578265295722200e-15 |
PASS |
| Kinetic stress (13) |
9.679756996000000e-19 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
8.550827726996001e-16 |
PASS |
| Kinetic stress (21) |
9.992007222000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.578265295722200e-15 |
PASS |
| Kinetic stress (22) |
9.361438598000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
1.999999124646656e-12 |
PASS |
| Kinetic stress (23) |
-6.036837696000000e-19 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
4.914355057304000e-16 |
PASS |
| Kinetic stress (31) |
9.679756996000000e-19 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
8.550827726996001e-16 |
PASS |
| Kinetic stress (32) |
-6.036837696000000e-19 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
4.914355057304000e-16 |
PASS |
| Kinetic stress (33) |
9.361438598000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
1.999999124646656e-12 |
PASS |
| Hartree stress (11) |
8.859962932000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
7.999999317512274e-13 |
PASS |
| Hartree stress (12) |
3.754994834000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.754994834000000e-20 |
PASS |
| Hartree stress (13) |
-3.863524078000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.863524078000000e-21 |
PASS |
| Hartree stress (21) |
3.754994834000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.754994834000000e-20 |
PASS |
| Hartree stress (22) |
8.859962932000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
7.999999317512274e-13 |
PASS |
| Hartree stress (23) |
7.116933246000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
7.116933246000000e-21 |
PASS |
| Hartree stress (31) |
-3.863524078000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.863524078000000e-21 |
PASS |
| Hartree stress (32) |
7.116933246000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
7.116933246000000e-21 |
PASS |
| Hartree stress (33) |
8.859962932000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
7.999999317512274e-13 |
PASS |
| XC stress (11) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (12) |
7.236277327999999e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
7.236277327999999e-20 |
PASS |
| XC stress (13) |
7.236277327999999e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
7.236277327999999e-20 |
PASS |
| XC stress (21) |
7.236277327999999e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
7.236277327999999e-20 |
PASS |
| XC stress (22) |
-3.734425480000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
0.000000000000000e+00 |
PASS |
| XC stress (23) |
-5.260808313000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-5.260808313000000e-21 |
PASS |
| XC stress (31) |
7.236277327999999e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
7.236277327999999e-20 |
PASS |
| XC stress (32) |
-5.260808313000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-5.260808313000000e-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) |
-5.498299514000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-5.498299514000000e-19 |
PASS |
| Ion-ion stress (13) |
1.027344596000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.027344596000000e-19 |
PASS |
| Ion-ion stress (21) |
-5.498299514000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-5.498299514000000e-19 |
PASS |
| Ion-ion stress (22) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (23) |
-8.112874089000001e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-8.112874089000001e-21 |
PASS |
| Ion-ion stress (31) |
1.027344596000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.027344596000000e-19 |
PASS |
| Ion-ion stress (32) |
-8.112874089000001e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-8.112874089000001e-21 |
PASS |
| Ion-ion stress (33) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Stress (11) |
-5.662478932000000e-04 |
-5.662478856000000e-04 |
8.850000000000000e-12 |
-7.600000056368073e-12 |
PASS |
| Stress (12) |
-1.061816647000000e-18 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.687947158470002e-16 |
PASS |
| Stress (13) |
-1.424561735000000e-18 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-1.703609849735000e-15 |
PASS |
| Stress (21) |
-1.061816647000000e-18 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.687947228470000e-16 |
PASS |
| Stress (22) |
-5.662478934000000e-04 |
-5.662478852000001e-04 |
9.570000000000001e-12 |
-8.199999923866330e-12 |
PASS |
| Stress (23) |
8.331994633000000e-19 |
1.173998455000000e-15 |
1.270000000000000e-14 |
-1.173165255536700e-15 |
PASS |
| Stress (31) |
-1.424561735000000e-18 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-1.703609849735000e-15 |
PASS |
| Stress (32) |
8.331994633000000e-19 |
1.173998455000000e-15 |
1.270000000000000e-14 |
-1.173165255536700e-15 |
PASS |
| Stress (33) |
-5.662478933000000e-04 |
-5.662478851000000e-04 |
9.680000000000001e-12 |
-8.200000032286547e-12 |
PASS |