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

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772399e+02 -3.184210032772400e+02 1.590000000000000e-10 5.684341886080801e-14 PASS
Energy [step 20] -3.184088237669079e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.662937034387141e-11 PASS
Multipoles [step 0] -1.207023383647005e-03 -1.211520628226222e-03 5.140000000000000e-06 4.497244579217347e-06 PASS
Multipoles [step 20] -2.020313249433580e+00 -2.020315146839614e+00 5.140000000000000e-06 1.897406034068183e-06 PASS
Compare to other inputs