Input 14-fullerene_unpacked.03-td-packed.inp

Commits > Commit 0eb882d93dcc47f8554e98f5f256d6c6053dae9c > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772386e+02 -3.184210032772400e+02 1.590000000000000e-10 1.421085471520200e-12 PASS
Energy [step 20] -3.184088237669073e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.606093615526333e-11 PASS
Multipoles [step 0] -1.206973290279592e-03 -1.211520628226222e-03 5.140000000000000e-06 4.547337946629810e-06 PASS
Multipoles [step 20] -2.020313227808285e+00 -2.020315146839614e+00 5.140000000000000e-06 1.919031328956322e-06 PASS
Compare to other inputs