Input 30-stress.03-par_kpoints.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 7.843762470000000e-04 | 7.843762470000000e-04 | 3.920000000000000e-11 | 0.000000000000000e+00 | PASS |
| Pressure (GPa) | 2.307715433000000e+01 | 2.307715433000000e+01 | 1.150000000000000e-07 | 0.000000000000000e+00 | PASS |
| Kinetic stress (11) | 1.181860548000000e-02 | 1.181860548000000e-02 | 5.909999999999999e-11 | -1.734723475976807e-18 | PASS |
| Kinetic stress (12) | -1.066401957000000e-07 | -1.066401957000000e-07 | 5.330000000000000e-16 | -1.323488980084844e-23 | PASS |
| Kinetic stress (13) | -5.144847402000000e-05 | -5.144847402000000e-05 | 2.570000000000000e-13 | 0.000000000000000e+00 | PASS |
| Kinetic stress (21) | -1.066401957000000e-07 | -1.066401957000000e-07 | 5.330000000000000e-16 | -1.323488980084844e-23 | PASS |
| Kinetic stress (22) | 1.326567965000000e-02 | 1.326567965000000e-02 | 6.630000000000001e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (23) | 1.219676430000000e-04 | 1.219676430000000e-04 | 6.100000000000000e-12 | 0.000000000000000e+00 | PASS |
| Kinetic stress (31) | -5.144847402000000e-05 | -5.144847402000000e-05 | 2.570000000000000e-13 | 0.000000000000000e+00 | PASS |
| Kinetic stress (32) | 1.219676430000000e-04 | 1.219676430000000e-04 | 6.100000000000000e-12 | 0.000000000000000e+00 | PASS |
| Kinetic stress (33) | 1.316742171000000e-02 | 1.316742171000000e-02 | 6.580000000000000e-11 | 0.000000000000000e+00 | PASS |
| Hartree stress (11) | 7.577651179000000e-04 | 7.577651179000001e-04 | 3.790000000000000e-12 | -1.084202172485504e-19 | PASS |
| Hartree stress (12) | 1.320122031000000e-04 | 1.320122031000000e-04 | 6.600000000000000e-13 | -2.710505431213761e-20 | PASS |
| Hartree stress (13) | -9.208877863000000e-05 | -9.208877863000001e-05 | 4.600000000000000e-13 | 1.355252715606881e-20 | PASS |
| Hartree stress (21) | 1.320122031000000e-04 | 1.320122031000000e-04 | 6.600000000000000e-13 | -2.710505431213761e-20 | PASS |
| Hartree stress (22) | 9.724328191000000e-04 | 9.724328191000000e-04 | 4.860000000000000e-12 | 0.000000000000000e+00 | PASS |
| Hartree stress (23) | 1.799918035000000e-04 | 1.799918035000000e-04 | 9.000000000000000e-13 | 0.000000000000000e+00 | PASS |
| Hartree stress (31) | -9.208877863000000e-05 | -9.208877863000001e-05 | 4.600000000000000e-13 | 1.355252715606881e-20 | PASS |
| Hartree stress (32) | 1.799918035000000e-04 | 1.799918035000000e-04 | 9.000000000000000e-13 | 0.000000000000000e+00 | PASS |
| Hartree stress (33) | 8.819740040000000e-04 | 8.819740040000001e-04 | 4.410000000000000e-11 | -1.084202172485504e-19 | PASS |
| XC stress (11) | -4.919494664000000e-03 | -4.919494664000000e-03 | 2.460000000000000e-11 | 0.000000000000000e+00 | PASS |
| XC stress (12) | -1.419618471000000e-05 | -1.419618471000000e-05 | 7.100000000000000e-14 | 1.694065894508601e-21 | PASS |
| XC stress (13) | 8.311047290999999e-06 | 8.311047291000001e-06 | 4.160000000000000e-14 | -1.694065894508601e-21 | PASS |
| XC stress (21) | -1.419618471000000e-05 | -1.419618471000000e-05 | 7.100000000000000e-14 | 1.694065894508601e-21 | PASS |
| XC stress (22) | -4.949842735000000e-03 | -4.949842735000000e-03 | 2.470000000000000e-11 | 0.000000000000000e+00 | PASS |
| XC stress (23) | -2.466540075000000e-05 | -2.466540075000000e-05 | 1.230000000000000e-13 | 0.000000000000000e+00 | PASS |
| XC stress (31) | 8.311047290999999e-06 | 8.311047291000001e-06 | 4.160000000000000e-14 | -1.694065894508601e-21 | PASS |
| XC stress (32) | -2.466540075000000e-05 | -2.466540075000000e-05 | 1.230000000000000e-13 | 0.000000000000000e+00 | PASS |
| XC stress (33) | -4.934135156000000e-03 | -4.934135156000000e-03 | 2.470000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (11) | -1.649667662000000e-02 | -1.649667662000000e-02 | 8.250000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (12) | 1.129036311000000e-03 | 1.129036311000000e-03 | 5.650000000000000e-12 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (13) | -5.340350017000000e-04 | -5.340350016999999e-04 | 2.670000000000000e-12 | -1.084202172485504e-19 | PASS |
| Ion-ion stress (21) | 1.129036311000000e-03 | 1.129036311000000e-03 | 5.650000000000000e-12 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (22) | -1.537087689000000e-02 | -1.537087689000000e-02 | 7.690000000000000e-16 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | 1.722698484000000e-03 | 1.722698484000000e-03 | 8.610000000000000e-12 | -2.168404344971009e-19 | PASS |
| Ion-ion stress (31) | -5.340350017000000e-04 | -5.340350016999999e-04 | 2.670000000000000e-12 | -1.084202172485504e-19 | PASS |
| Ion-ion stress (32) | 1.722698484000000e-03 | 1.722698484000000e-03 | 8.610000000000000e-12 | -2.168404344971009e-19 | PASS |
| Ion-ion stress (33) | -1.588156233000000e-02 | -1.588156233000000e-02 | 7.940000000000000e-11 | -3.469446951953614e-18 | PASS |
| Stress (11) | 1.674270314000000e-04 | 1.674270314000000e-04 | 8.370000000000000e-13 | 0.000000000000000e+00 | PASS |
| Stress (12) | -3.073199045000000e-04 | -3.073199045000000e-04 | 3.070000000000000e-18 | 5.421010862427522e-20 | PASS |
| Stress (13) | 7.451748862000000e-05 | 7.451748862000000e-05 | 3.730000000000000e-13 | 0.000000000000000e+00 | PASS |
| Stress (21) | -3.073199045000000e-04 | -3.073199045000000e-04 | 3.070000000000000e-18 | 5.421010862427522e-20 | PASS |
| Stress (22) | -1.351733165000000e-03 | -1.351733165000000e-03 | 6.760000000000000e-12 | 2.168404344971009e-19 | PASS |
| Stress (23) | -5.513513031000000e-04 | -5.513513031000000e-04 | 2.760000000000000e-12 | 0.000000000000000e+00 | PASS |
| Stress (31) | 7.451748862000000e-05 | 7.451748862000000e-05 | 3.730000000000000e-13 | 0.000000000000000e+00 | PASS |
| Stress (32) | -5.513513031000000e-04 | -5.513513031000000e-04 | 2.760000000000000e-12 | 0.000000000000000e+00 | PASS |
| Stress (33) | -1.168822607000000e-03 | -1.168822607000000e-03 | 5.840000000000000e-12 | 0.000000000000000e+00 | PASS |