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

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772406e+02 -3.184210032771824e+02 9.690000000000000e-11 -5.820766091346741e-11 PASS
Energy [step 20] -3.184088237669050e+02 -3.184088237668212e+02 1.100000000000000e-10 -8.373035598197021e-11 PASS
Multipoles [step 0] -1.207108045561248e-03 -1.211520628226222e-03 5.140000000000000e-06 4.412582664974291e-06 PASS
Multipoles [step 20] -2.020313286375358e+00 -2.020315146839614e+00 5.140000000000000e-06 1.860464256431271e-06 PASS
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