Input 14-fullerene_unpacked.02-td-unpacked.inp

Commits > Commit 23d5ddb085c569d9609ce2385772116d59d2e94d > Run foss-mpi-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128263e+02 -3.184216450128310e+02 1.570000000000000e-11 4.661160346586257e-12 PASS
Energy [step 20] -3.184094654954754e+02 -3.184094654954693e+02 5.150000000000000e-11 -6.139089236967266e-12 PASS
Multipoles [step 0] -1.206910437397429e-03 -1.211520628226222e-03 8.480000000000000e-06 4.610190828792599e-06 PASS
Multipoles [step 20] -2.020306522998392e+00 -2.020306920872538e+00 1.600000000000000e-06 3.978741460741730e-07 PASS
Compare to other inputs