Input 30-stress.02-gamma_point.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Pressure (H/b^3) |
5.662478910000000e-04 |
5.662478900000000e-04 |
4.400000000000000e-12 |
9.999999960041972e-13 |
PASS |
| Pressure (GPa) |
1.665959419000000e+01 |
1.665959420000000e+01 |
8.330000000000000e-07 |
-1.000000082740371e-08 |
PASS |
| Kinetic stress (11) |
9.361438595000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-1.000000429685066e-12 |
PASS |
| Kinetic stress (12) |
4.163336342000000e-20 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.577307728363420e-15 |
PASS |
| Kinetic stress (13) |
1.498801083000000e-18 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.923297879917000e-15 |
PASS |
| Kinetic stress (21) |
4.163336342000000e-20 |
-1.577266095000000e-15 |
1.740000000000000e-15 |
1.577307728363420e-15 |
PASS |
| Kinetic stress (22) |
9.361438595000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-1.000000429685066e-12 |
PASS |
| Kinetic stress (23) |
4.059252934000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.086171925934000e-16 |
PASS |
| Kinetic stress (31) |
1.498801083000000e-18 |
4.924796681000000e-15 |
5.420000000000000e-15 |
-4.923297879917000e-15 |
PASS |
| Kinetic stress (32) |
4.059252934000000e-19 |
-7.082112673000000e-16 |
7.800000000000000e-16 |
7.086171925934000e-16 |
PASS |
| Kinetic stress (33) |
9.361438595000000e-03 |
9.361438596000001e-03 |
4.680000000000000e-11 |
-1.000000429685066e-12 |
PASS |
| Hartree stress (11) |
8.859962916000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-8.000000401714447e-13 |
PASS |
| Hartree stress (12) |
2.903532411000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.903532411000000e-19 |
PASS |
| Hartree stress (13) |
-1.351516921000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.351516921000000e-20 |
PASS |
| Hartree stress (21) |
2.903532411000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.903532411000000e-19 |
PASS |
| Hartree stress (22) |
8.859962916000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-8.000000401714447e-13 |
PASS |
| Hartree stress (23) |
1.839383241000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.839383241000000e-21 |
PASS |
| Hartree stress (31) |
-1.351516921000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-1.351516921000000e-20 |
PASS |
| Hartree stress (32) |
1.839383241000000e-21 |
0.000000000000000e+00 |
1.000000000000000e-15 |
1.839383241000000e-21 |
PASS |
| Hartree stress (33) |
8.859962916000000e-04 |
8.859962924000001e-04 |
4.430000000000000e-12 |
-8.000000401714447e-13 |
PASS |
| XC stress (11) |
-3.734425479000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
9.999999960041972e-13 |
PASS |
| XC stress (12) |
3.870834368000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.870834368000000e-20 |
PASS |
| XC stress (13) |
-4.195629796000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.195629796000000e-20 |
PASS |
| XC stress (21) |
3.870834368000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
3.870834368000000e-20 |
PASS |
| XC stress (22) |
-3.734425479000000e-03 |
-3.734425480000000e-03 |
1.870000000000000e-10 |
9.999999960041972e-13 |
PASS |
| XC stress (23) |
2.408347281000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.408347281000000e-20 |
PASS |
| XC stress (31) |
-4.195629796000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
-4.195629796000000e-20 |
PASS |
| XC stress (32) |
2.408347281000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-15 |
2.408347281000000e-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) |
-5.662478908000000e-04 |
-5.662478899000000e-04 |
4.180000000000000e-12 |
-9.000000180878209e-13 |
PASS |
| Stress (12) |
1.226461285000000e-18 |
9.677328992000001e-16 |
1.060000000000000e-15 |
-9.665064379150001e-16 |
PASS |
| Stress (13) |
-1.516905370000000e-18 |
-4.453374438000000e-15 |
4.900000000000000e-15 |
4.451857532630000e-15 |
PASS |
| Stress (21) |
1.226461285000000e-18 |
9.677329061999999e-16 |
1.060000000000000e-15 |
-9.665064449149999e-16 |
PASS |
| Stress (22) |
-5.662478910000000e-04 |
-5.662478899500000e-04 |
4.130000000000000e-12 |
-1.050000039172494e-12 |
PASS |
| Stress (23) |
-6.788508634000000e-19 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.395049367863400e-15 |
PASS |
| Stress (31) |
-1.516905370000000e-18 |
-4.453374436000000e-15 |
4.900000000000000e-15 |
4.451857530629999e-15 |
PASS |
| Stress (32) |
-6.788508634000000e-19 |
2.394370517000000e-15 |
2.640000000000000e-15 |
-2.395049367863400e-15 |
PASS |
| Stress (33) |
-5.662478906000000e-04 |
-5.662478901500000e-04 |
4.230000000000000e-12 |
-4.499999548338018e-13 |
PASS |