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

Commits > Commit c18e6529b073b7f96582e125ea28d09e3ac5067c > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772437e+02 -3.184210032772400e+02 1.590000000000000e-10 -3.694822225952521e-12 PASS
Energy [step 20] -3.184088237669039e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.265033102361485e-11 PASS
Multipoles [step 0] -1.207018728141551e-03 -1.211520628226222e-03 5.140000000000000e-06 4.501900084670713e-06 PASS
Multipoles [step 20] -2.020313247751594e+00 -2.020315146839614e+00 5.140000000000000e-06 1.899088020618223e-06 PASS
Compare to other inputs