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

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772402e+02 -3.184210032771824e+02 9.690000000000000e-11 -5.775291356258094e-11 PASS
Energy [step 20] -3.184088237669076e+02 -3.184088237668212e+02 1.100000000000000e-10 -8.640199666842818e-11 PASS
Multipoles [step 0] -1.207039778859373e-03 -1.211520628226222e-03 5.140000000000000e-06 4.480849366849055e-06 PASS
Multipoles [step 20] -2.020313256704095e+00 -2.020315146839614e+00 5.140000000000000e-06 1.890135519655445e-06 PASS
Compare to other inputs