Input 16-bomd.02-td.inp
Commits >
Commit fc620b07b8352e29314cbb5cb8516e7316f53ec5 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966828875e+01 | -1.058173966727793e+01 | 1.110000000000000e-09 | -1.010823424962837e-09 | PASS |
| Energy [step 2] | -1.058158908445419e+01 | -1.058158908323673e+01 | 1.340000000000000e-09 | -1.217465239733428e-09 | PASS |
| Energy [step 3] | -1.058145774227798e+01 | -1.058145773976834e+01 | 2.760000000000000e-09 | -2.509640495418353e-09 | PASS |
| Energy [step 4] | -1.058134610372156e+01 | -1.058134609837270e+01 | 6.140000000000000e-09 | -5.348860909748510e-09 | PASS |
| Forces [step 1] | -1.538478572155761e-01 | -1.538477490161332e-01 | 1.190000000000000e-07 | -1.081994429330546e-07 | PASS |
| Forces [step 2] | -1.732216535537843e-01 | -1.732217491278016e-01 | 1.050000000000000e-07 | 9.557401731141724e-08 | PASS |
| Forces [step 3] | -1.918267217197906e-01 | -1.918264519326440e-01 | 2.970000000000000e-07 | -2.697871465950907e-07 | PASS |
| Forces [step 4] | -2.092291825833131e-01 | -2.092290824096458e-01 | 1.470000000000000e-07 | -1.001736672778808e-07 | PASS |