Input 03-sodium_chain.04-unocc_disp.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Bands n=1,k=1 | -3.647610000000000e+00 | -3.647611000000000e+00 | 1.820000000000000e-05 | 1.000000000139778e-06 | PASS |
| Bands n=1,k=2 | -3.551625000000000e+00 | -3.551625000000000e+00 | 1.780000000000000e-13 | 0.000000000000000e+00 | PASS |
| Bands n=1,k=3 | -3.264556000000000e+00 | -3.264557000000000e+00 | 1.630000000000000e-05 | 1.000000000139778e-06 | PASS |
| Bands n=1,k=4 | -2.789110000000000e+00 | -2.789111000000000e+00 | 1.390000000000000e-05 | 1.000000000139778e-06 | PASS |
| Bands n=1,k=5 | -2.130395000000000e+00 | -2.130395000000000e+00 | 1.070000000000000e-13 | 0.000000000000000e+00 | PASS |
| Bands n=1,k=6 | -1.367357000000000e+00 | -1.367357000000000e+00 | 1.500000000000000e-04 | 0.000000000000000e+00 | PASS |
| Bands n=2,k=1 | -1.236399000000000e+00 | -1.236399000000000e+00 | 6.180000000000000e-04 | 0.000000000000000e+00 | PASS |
| Bands n=2,k=2 | -1.144852000000000e+00 | -1.144853000000000e+00 | 5.720000000000000e-06 | 9.999999999177334e-07 | PASS |
| Bands n=2,k=3 | -8.703330000000000e-01 | -8.703330000000000e-01 | 4.350000000000000e-05 | 0.000000000000000e+00 | PASS |
| Bands n=2,k=4 | -4.134620000000000e-01 | -4.134630000000000e-01 | 2.070000000000000e-05 | 1.000000000028756e-06 | PASS |
| Bands n=2,k=5 | -2.806520000000000e-01 | -2.806520000000000e-01 | 1.400000000000000e-05 | 0.000000000000000e+00 | PASS |
| Bands n=2,k=6 | -1.210151000000000e+00 | -1.210152000000000e+00 | 6.050000000000000e-06 | 9.999999999177334e-07 | PASS |