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) |
1.665959409000000e+01 |
1.665959420000000e+01 |
8.330000000000000e-07 |
-1.100000019960135e-07 |
PASS |
| Kinetic stress (11) |
9.361438594000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-2.000000859370132e-12 |
PASS |
| Kinetic stress (12) |
-4.440892099000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.576822005790100e-15 |
PASS |
| Kinetic stress (13) |
3.330669074000000e-19 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.924463614092600e-15 |
PASS |
| Kinetic stress (21) |
-4.440892099000000e-19 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.576822005790100e-15 |
PASS |
| Kinetic stress (22) |
9.361438594000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-2.000000859370132e-12 |
PASS |
| Kinetic stress (23) |
-1.665334537000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.080447338463000e-16 |
PASS |
| Kinetic stress (31) |
3.330669074000000e-19 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.924463614092600e-15 |
PASS |
| Kinetic stress (32) |
-1.665334537000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.080447338463000e-16 |
PASS |
| Kinetic stress (33) |
9.361438594000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-2.000000859370132e-12 |
PASS |
| Hartree stress (11) |
8.859962913999999e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-1.000000104424414e-12 |
PASS |
| Hartree stress (12) |
-1.905019731000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.905019731000000e-20 |
PASS |
| Hartree stress (13) |
-1.490885007000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.490885007000000e-20 |
PASS |
| Hartree stress (21) |
-1.905019731000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.905019731000000e-20 |
PASS |
| Hartree stress (22) |
8.859962913999999e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-1.000000104424414e-12 |
PASS |
| Hartree stress (23) |
-2.981770014000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.981770014000000e-20 |
PASS |
| Hartree stress (31) |
-1.490885007000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.490885007000000e-20 |
PASS |
| Hartree stress (32) |
-2.981770014000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.981770014000000e-20 |
PASS |
| Hartree stress (33) |
8.859962913999999e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-1.000000104424414e-12 |
PASS |
| XC stress (11) |
-3.734425479000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
9.999999960041972e-13 |
PASS |
| XC stress (12) |
6.149670955000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
6.149670955000000e-21 |
PASS |
| XC stress (13) |
9.635529171000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
9.635529171000000e-20 |
PASS |
| XC stress (21) |
6.149670955000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
6.149670955000000e-21 |
PASS |
| XC stress (22) |
-3.734425479000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
9.999999960041972e-13 |
PASS |
| XC stress (23) |
-2.751480650000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.751480650000000e-20 |
PASS |
| XC stress (31) |
9.635529171000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
9.635529171000000e-20 |
PASS |
| XC stress (32) |
-2.751480650000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-2.751480650000000e-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) |
-4.523568278000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.523568278000000e-19 |
PASS |
| Ion-ion stress (13) |
8.918692209000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
8.918692209000000e-20 |
PASS |
| Ion-ion stress (21) |
-4.523568807000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.523568807000000e-19 |
PASS |
| Ion-ion stress (22) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Ion-ion stress (23) |
8.963465368000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
8.963465368000000e-20 |
PASS |
| Ion-ion stress (31) |
8.918689560000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
8.918689560000000e-20 |
PASS |
| Ion-ion stress (32) |
8.963464045000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
8.963464045000000e-20 |
PASS |
| Ion-ion stress (33) |
-1.149183583000000e-02 |
-1.149183583000000e-02 |
5.750000000000000e-11 |
0.000000000000000e+00 |
PASS |
| Stress (11) |
-5.662478870000000e-04 |
-5.662478899000000e-04 |
4.180000000000000e-12 |
2.900000010096215e-12 |
PASS |
| Stress (12) |
7.614762566000000e-19 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.669714229434001e-16 |
PASS |
| Stress (13) |
-4.330955992000000e-19 |
-4.453374438000000e-15 |
4.900000000000000e-15 |
4.452941342400800e-15 |
PASS |
| Stress (21) |
7.614763095000000e-19 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.669714298904999e-16 |
PASS |
| Stress (22) |
-5.662478874000000e-04 |
-5.662478899500000e-04 |
4.130000000000000e-12 |
2.549999924758573e-12 |
PASS |
| Stress (23) |
1.056638276000000e-19 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.394264853172400e-15 |
PASS |
| Stress (31) |
-4.330955727000000e-19 |
-4.453374436000000e-15 |
4.900000000000000e-15 |
4.452941340427300e-15 |
PASS |
| Stress (32) |
1.056638408000000e-19 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.394264853159200e-15 |
PASS |
| Stress (33) |
-5.662478874000000e-04 |
-5.662478901500000e-04 |
4.230000000000000e-12 |
2.749999989011542e-12 |
PASS |