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

Commits > Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772422e+02 -3.184210032772400e+02 1.590000000000000e-10 -2.216893335571513e-12 PASS
Energy [step 20] -3.184088237669065e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.526512829121202e-11 PASS
Multipoles [step 0] -1.207112669135868e-03 -1.211520628226222e-03 5.140000000000000e-06 4.407959090353903e-06 PASS
Multipoles [step 20] -2.020313288595804e+00 -2.020315146839614e+00 5.140000000000000e-06 1.858243810382021e-06 PASS
Compare to other inputs