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

Commits > Commit d6f4833c99197407842d58e82c91c418d3d73b88 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772401e+02 -3.184210032771824e+02 9.690000000000000e-11 -5.769607014372014e-11 PASS
Energy [step 20] -3.184088237669067e+02 -3.184088237668212e+02 1.100000000000000e-10 -8.549250196665525e-11 PASS
Multipoles [step 0] -1.206997074072069e-03 -1.211520628226222e-03 5.140000000000000e-06 4.523554154152671e-06 PASS
Multipoles [step 20] -2.020313238175994e+00 -2.020315146839614e+00 5.140000000000000e-06 1.908663620042717e-06 PASS
Compare to other inputs