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

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772406e+02 -3.184210032771824e+02 9.690000000000000e-11 -5.815081749460660e-11 PASS
Energy [step 20] -3.184088237669101e+02 -3.184088237668212e+02 1.100000000000000e-10 -8.890310709830374e-11 PASS
Multipoles [step 0] -1.207006952482090e-03 -1.211520628226222e-03 5.140000000000000e-06 4.513675744132134e-06 PASS
Multipoles [step 20] -2.020313242313858e+00 -2.020315146839614e+00 5.140000000000000e-06 1.904525756657449e-06 PASS
Compare to other inputs