Input 10-bomd.02-td.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | -1.010805661394443e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | -1.217491885086019e-09 | PASS |
| Energy [step 3] | -1.058145774227834e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | -2.509978003217839e-09 | PASS |
| Energy [step 4] | -1.058134610389436e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | -5.518360879364081e-09 | PASS |
| Forces [step 1] | -1.538478572155776e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | -1.081994466523017e-07 | PASS |
| Forces [step 2] | -1.732216535539443e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | 9.557389102354819e-08 | PASS |
| Forces [step 3] | -1.918267217667255e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | -2.697990625633029e-07 | PASS |
| Forces [step 4] | -2.092292077412648e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | -1.248928412356243e-07 | PASS |