Input 04-silicon.03-emresp.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Re Epsilon XX w=0.0 | 1.438351400000000e+01 | 1.429882200000000e+01 | 7.150000000000000e-06 | 8.469200000000043e-02 | FAIL |
| Re Epsilon YY w=0.0 | 1.438351400000000e+01 | 1.429882200000000e+01 | 7.150000000000000e-06 | 8.469200000000043e-02 | FAIL |
| Re Epsilon ZZ w=0.0 | 1.438351400000000e+01 | 1.429882200000000e+01 | 7.150000000000000e-06 | 8.469200000000043e-02 | FAIL |
| Re Epsilon XY w=0.0 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Re Epsilon XX w=0.1 | 2.917529700000000e+01 | 2.906584600000000e+01 | 1.450000000000000e-05 | 1.094510000000000e-01 | FAIL |
| Re Epsilon YY w=0.1 | 2.917529700000000e+01 | 2.906584600000000e+01 | 1.450000000000000e-05 | 1.094510000000000e-01 | FAIL |
| Re Epsilon ZZ w=0.1 | 2.917529700000000e+01 | 2.906584600000000e+01 | 1.450000000000000e-05 | 1.094510000000000e-01 | FAIL |
| Re Epsilon XY w=0.1 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Im Epsilon XX w=0.1 | 1.528349100000000e+01 | 1.527434700000000e+01 | 7.640000000000000e-06 | 9.144000000000929e-03 | FAIL |
| Im Epsilon YY w=0.1 | 1.528349100000000e+01 | 1.527434700000000e+01 | 7.640000000000000e-06 | 9.144000000000929e-03 | FAIL |
| Im Epsilon ZZ w=0.1 | 1.528349100000000e+01 | 1.527434700000000e+01 | 7.640000000000000e-06 | 9.144000000000929e-03 | FAIL |
| Im Epsilon XY w=0.1 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Born charge 1 XX w=0.0 | 1.181540000000000e-01 | -1.828300000000000e-02 | 9.140000000000001e-06 | 1.364370000000000e-01 | FAIL |
| Born charge 1 ZZ w=0.0 | 1.181540000000000e-01 | -1.828300000000000e-02 | 9.140000000000001e-06 | 1.364370000000000e-01 | FAIL |
| Born charge 1 XZ w=0.0 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Born charge 5 XX w=0.0 | -7.516500000000000e-02 | -5.479100000000001e-02 | 2.740000000000000e-05 | -2.037399999999999e-02 | FAIL |
| Born charge diff w=0.0 | 1.184400000000000e-02 | -3.653600000000001e-02 | 1.830000000000000e-05 | 4.838000000000001e-02 | FAIL |
| Born charge 1 XX w=0.1 | -2.647407000000000e+00 | -2.812991000000000e+00 | 1.410000000000000e-05 | 1.655840000000004e-01 | FAIL |
| Born charge 1 ZZ w=0.1 | -2.647407000000000e+00 | -2.812991000000000e+00 | 1.410000000000000e-05 | 1.655840000000004e-01 | FAIL |
| Born charge 1 XZ w=0.1 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Born charge 5 XX w=0.1 | -3.123853000000000e+00 | -3.096609000000000e+00 | 1.550000000000000e-05 | -2.724400000000005e-02 | FAIL |
| Born charge diff w=0.1 | -2.892527000000000e+00 | -2.954800000000000e+00 | 1.480000000000000e-05 | 6.227300000000024e-02 | FAIL |
| Born charge diff w=0.1 | -2.427635000000000e+00 | -2.395780000000000e+00 | 1.200000000000000e-05 | -3.185499999999974e-02 | FAIL |