Input 10-bomd.03-td_restart.inp
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058125198720935e+01 | -1.058125197929708e+01 | 8.700000000000000e-09 | -7.912271726695508e-09 | PASS |
| Energy [step 2] | -1.058226791348993e+01 | -1.058226790610678e+01 | 8.160000000000000e-09 | -7.383150091300195e-09 | PASS |
| Energy [step 3] | -1.058222763900901e+01 | -1.058222763507127e+01 | 9.060000000000000e-09 | -3.937735471026826e-09 | PASS |
| Energy [step 4] | -1.058219875542897e+01 | -1.058219875382902e+01 | 9.840000000000001e-09 | -1.599953947106769e-09 | PASS |
| Forces [step 1] | -2.249842023714687e-01 | -2.249842127905284e-01 | 1.150000000000000e-08 | 1.041905969834112e-08 | PASS |
| Forces [step 2] | -2.378810662186903e-01 | -2.378811867300932e-01 | 1.360000000000000e-07 | 1.205114029401155e-07 | PASS |
| Forces [step 3] | -2.490660944205653e-01 | -2.490668206371630e-01 | 1.380000000000000e-06 | 7.262165976906765e-07 | PASS |
| Forces [step 4] | -2.574367495353890e-01 | -2.574373063428386e-01 | 2.150000000000000e-06 | 5.568074496475894e-07 | PASS |