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) |
9.361438592000001e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-3.999999984016789e-12 |
PASS |
| Kinetic stress (12) |
7.771561172000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.578043251117200e-15 |
PASS |
| Kinetic stress (13) |
1.013078510000000e-18 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
8.551278755100002e-16 |
PASS |
| Kinetic stress (21) |
7.771561172000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.578043251117200e-15 |
PASS |
| Kinetic stress (22) |
9.361438592000001e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-3.999999984016789e-12 |
PASS |
| Kinetic stress (23) |
-2.220446049000000e-19 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
4.918171448951000e-16 |
PASS |
| Kinetic stress (31) |
1.013078510000000e-18 |
-8.541147970000002e-16 |
5.350000000000000e-15 |
8.551278755100002e-16 |
PASS |
| Kinetic stress (32) |
-2.220446049000000e-19 |
-4.920391895000000e-16 |
6.550000000000000e-15 |
4.918171448951000e-16 |
PASS |
| Kinetic stress (33) |
9.361438593000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-3.000001289055199e-12 |
PASS |
| Hartree stress (11) |
8.859962901000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-2.300000034177740e-12 |
PASS |
| Hartree stress (12) |
-3.961792861000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.961792861000000e-21 |
PASS |
| Hartree stress (13) |
-1.793589623000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.793589623000000e-20 |
PASS |
| Hartree stress (21) |
-3.961792861000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-3.961792861000000e-21 |
PASS |
| Hartree stress (22) |
8.859962901000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-2.300000034177740e-12 |
PASS |
| Hartree stress (23) |
2.574943003000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.574943003000000e-20 |
PASS |
| Hartree stress (31) |
-1.793589623000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.793589623000000e-20 |
PASS |
| Hartree stress (32) |
2.574943003000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.574943003000000e-20 |
PASS |
| Hartree stress (33) |
8.859962901000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-2.300000034177740e-12 |
PASS |
| XC stress (11) |
-3.734425479000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
9.999999960041972e-13 |
PASS |
| XC stress (12) |
2.371708327000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.371708327000000e-20 |
PASS |
| XC stress (13) |
-6.475381400000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-6.475381400000000e-20 |
PASS |
| XC stress (21) |
2.371708327000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.371708327000000e-20 |
PASS |
| XC stress (22) |
-3.734425479000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
9.999999960041972e-13 |
PASS |
| XC stress (23) |
1.092625049000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.092625049000000e-20 |
PASS |
| XC stress (31) |
-6.475381400000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-6.475381400000000e-20 |
PASS |
| XC stress (32) |
1.092625049000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.092625049000000e-20 |
PASS |
| XC stress (33) |
-3.734425479000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
9.999999960041972e-13 |
PASS |
| Ion-ion stress (11) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (12) |
-5.387728891000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-5.387728891000000e-19 |
PASS |
| Ion-ion stress (13) |
1.094548984000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.094548984000000e-19 |
PASS |
| Ion-ion stress (21) |
-5.387728891000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-5.387728891000000e-19 |
PASS |
| Ion-ion stress (22) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (23) |
-4.706841641000000e-22 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.706841641000000e-22 |
PASS |
| Ion-ion stress (31) |
1.094548984000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.094548984000000e-19 |
PASS |
| Ion-ion stress (32) |
-4.706841641000000e-22 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.706841641000000e-22 |
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) |
-2.278227687000000e-19 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.679607219687001e-16 |
PASS |
| Stress (13) |
-1.773962638000000e-18 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-1.703959250638000e-15 |
PASS |
| Stress (21) |
-2.278227687000000e-19 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.679607289687000e-16 |
PASS |
| Stress (22) |
-5.662478865000000e-04 |
-5.662478852000001e-04 |
9.570000000000001e-12 |
-1.299999929753326e-12 |
PASS |
| Stress (23) |
3.159265865000000e-19 |
1.173998455000000e-15 |
1.270000000000000e-14 |
-1.173682528413500e-15 |
PASS |
| Stress (31) |
-1.773962638000000e-18 |
1.702185288000000e-15 |
1.030000000000000e-14 |
-1.703959250638000e-15 |
PASS |
| Stress (32) |
3.159265865000000e-19 |
1.173998455000000e-15 |
1.270000000000000e-14 |
-1.173682528413500e-15 |
PASS |
| Stress (33) |
-5.662478866000000e-04 |
-5.662478851000000e-04 |
9.680000000000001e-12 |
-1.499999994006296e-12 |
PASS |