Input 03-sodium_chain.02-unocc.inp
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Bands n=1,k=1 | -3.647611000000000e+00 | -3.647611000000000e+00 | 1.820000000000000e-05 | 0.000000000000000e+00 | PASS |
| Bands n=1,k=2 | -3.551627000000000e+00 | -3.551627000000000e+00 | 1.780000000000000e-05 | 0.000000000000000e+00 | PASS |
| Bands n=1,k=3 | -3.264557000000000e+00 | -3.264557000000000e+00 | 1.630000000000000e-05 | 0.000000000000000e+00 | PASS |
| Bands n=1,k=4 | -2.789112000000000e+00 | -2.789111000000000e+00 | 1.390000000000000e-05 | -9.999999996956888e-07 | PASS |
| Bands n=1,k=5 | -2.130397000000000e+00 | -2.130397000000000e+00 | 1.070000000000000e-05 | 0.000000000000000e+00 | PASS |
| Bands n=1,k=6 | -1.367359000000000e+00 | -1.367359000000000e+00 | 6.840000000000000e-06 | 0.000000000000000e+00 | PASS |
| Bands n=2,k=1 | -1.236400000000000e+00 | -1.236400000000000e+00 | 6.180000000000000e-04 | 0.000000000000000e+00 | PASS |
| Bands n=2,k=2 | -1.144853000000000e+00 | -1.144853000000000e+00 | 5.720000000000000e-06 | 0.000000000000000e+00 | PASS |
| Bands n=2,k=3 | -8.703340000000001e-01 | -8.703340000000001e-01 | 4.350000000000000e-05 | 0.000000000000000e+00 | PASS |
| Bands n=2,k=4 | -4.134640000000000e-01 | -4.134630000000000e-01 | 2.070000000000000e-05 | -9.999999999732445e-07 | PASS |
| Bands n=2,k=5 | -2.806530000000000e-01 | -2.806530000000000e-01 | 1.400000000000000e-05 | 0.000000000000000e+00 | PASS |
| Bands n=2,k=6 | -1.210153000000000e+00 | -1.210152000000000e+00 | 6.050000000000000e-06 | -1.000000000139778e-06 | PASS |