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

Commits > Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 > Run intel-2022b_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772410e+02 -3.184210032771824e+02 9.690000000000000e-11 -5.854872142663226e-11 PASS
Energy [step 20] -3.184088237669066e+02 -3.184088237668212e+02 1.100000000000000e-10 -8.537881512893364e-11 PASS
Multipoles [step 0] -1.207148289076088e-03 -1.211520628226222e-03 5.140000000000000e-06 4.372339150134292e-06 PASS
Multipoles [step 20] -2.020313304194075e+00 -2.020315146839614e+00 5.140000000000000e-06 1.842645539262833e-06 PASS
Compare to other inputs