Input 30-stress.02-gamma_point.inp
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478860000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 9.999999960041972e-13 | PASS |
| Pressure (GPa) | 1.665959405000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -1.500000017529146e-07 | PASS |
| Kinetic stress (11) | 9.361438594000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -2.000000859370132e-12 | PASS |
| Kinetic stress (12) | 3.330669074000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577599161907400e-15 | PASS |
| Kinetic stress (13) | 7.355227538000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.548503197538002e-16 | PASS |
| Kinetic stress (21) | 3.330669074000000e-19 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577599161907400e-15 | PASS |
| Kinetic stress (22) | 9.361438594000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -2.000000859370132e-12 | PASS |
| Kinetic stress (23) | 1.110223025000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.921502118025000e-16 | PASS |
| Kinetic stress (31) | 7.355227538000000e-19 | -8.541147970000002e-16 | 5.350000000000000e-15 | 8.548503197538002e-16 | PASS |
| Kinetic stress (32) | 1.110223025000000e-19 | -4.920391895000000e-16 | 6.550000000000000e-15 | 4.921502118025000e-16 | PASS |
| Kinetic stress (33) | 9.361438594000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -2.000000859370132e-12 | PASS |
| Hartree stress (11) | 8.859962915000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -9.000000180878209e-13 | PASS |
| Hartree stress (12) | -9.219551755000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -9.219551755000000e-20 | PASS |
| Hartree stress (13) | 3.200155776000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.200155776000000e-20 | PASS |
| Hartree stress (21) | -9.219551755000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -9.219551755000000e-20 | PASS |
| Hartree stress (22) | 8.859962915000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -9.000000180878209e-13 | PASS |
| Hartree stress (23) | -7.416150618000001e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.416150618000001e-21 | PASS |
| Hartree stress (31) | 3.200155776000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.200155776000000e-20 | PASS |
| Hartree stress (32) | -7.416150618000001e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.416150618000001e-21 | PASS |
| Hartree stress (33) | 8.859962915000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -9.000000180878209e-13 | PASS |
| XC stress (11) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (12) | -3.103650071000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.103650071000000e-20 | PASS |
| XC stress (13) | 4.876077919000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.876077919000000e-20 | PASS |
| XC stress (21) | -3.103650071000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -3.103650071000000e-20 | PASS |
| XC stress (22) | -3.734425479000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 9.999999960041972e-13 | PASS |
| XC stress (23) | -1.774053479000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.774053479000000e-21 | PASS |
| XC stress (31) | 4.876077919000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.876077919000000e-20 | PASS |
| XC stress (32) | -1.774053479000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.774053479000000e-21 | 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) | -5.662478860000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -4.000000200857223e-13 | PASS |
| Stress (12) | 3.787847450000000e-20 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.676950207255000e-16 | PASS |
| Stress (13) | -1.548725331000000e-18 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.703734013331000e-15 | PASS |
| Stress (21) | 3.787847450000000e-20 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.676950277254999e-16 | PASS |
| Stress (22) | -5.662478860000000e-04 | -5.662478852000001e-04 | 9.570000000000001e-12 | -7.999999317512274e-13 | PASS |
| Stress (23) | -1.634614758000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.174161916475800e-15 | PASS |
| Stress (31) | -1.548725331000000e-18 | 1.702185288000000e-15 | 1.030000000000000e-14 | -1.703734013331000e-15 | PASS |
| Stress (32) | -1.634614758000000e-19 | 1.173998455000000e-15 | 1.270000000000000e-14 | -1.174161916475800e-15 | PASS |
| Stress (33) | -5.662478857000000e-04 | -5.662478851000000e-04 | 9.680000000000001e-12 | -5.999999759184749e-13 | PASS |