Input 10-bomd.03-td_restart.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run foss_mpi_min_autotools: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058125197138808e+01 -1.058125197929708e+01 8.700000000000000e-09 7.908996124683654e-09 PASS
Energy [step 2] -1.058226789868530e+01 -1.058226790610678e+01 8.160000000000000e-09 7.421476766467094e-09 PASS
Energy [step 3] -1.058222762683767e+01 -1.058222763507127e+01 9.060000000000000e-09 8.233596915374619e-09 PASS
Energy [step 4] -1.058219874467927e+01 -1.058219875382902e+01 9.840000000000001e-09 9.149745849867941e-09 PASS
Forces [step 1] -2.249842232061838e-01 -2.249842127905284e-01 1.150000000000000e-08 -1.041565542148071e-08 PASS
Forces [step 2] -2.378813083616539e-01 -2.378811867300932e-01 1.360000000000000e-07 -1.216315606844542e-07 PASS
Forces [step 3] -2.490665834208286e-01 -2.490668206371630e-01 1.230000000000000e-06 2.372163343811184e-07 PASS
Forces [step 4] -2.574361673758492e-01 -2.574373063428386e-01 2.150000000000000e-06 1.138966989389090e-06 PASS
Compare to other inputs