Input 14-fullerene_unpacked.03-td-packed.inp

Commits > Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e > Run foss-mpi-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128271e+02 -3.184216450128310e+02 1.570000000000000e-11 3.922195901395753e-12 PASS
Energy [step 20] -3.184094654954727e+02 -3.184094654954693e+02 5.150000000000000e-11 -3.353761712787673e-12 PASS
Multipoles [step 0] -1.207212459714377e-03 -1.211520628226222e-03 9.480000000000001e-06 4.308168511845062e-06 PASS
Multipoles [step 20] -2.020306654660259e+00 -2.020306920872538e+00 1.600000000000000e-06 2.662122793317678e-07 PASS
Compare to other inputs