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

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772419e+02 -3.184210032771824e+02 9.690000000000000e-11 -5.951505954726599e-11 PASS
Energy [step 20] -3.184088237669081e+02 -3.184088237668212e+02 1.100000000000000e-10 -8.691358743817545e-11 PASS
Multipoles [step 0] -1.207134524355849e-03 -1.211520628226222e-03 5.140000000000000e-06 4.386103870372910e-06 PASS
Multipoles [step 20] -2.020313298178169e+00 -2.020315146839614e+00 5.140000000000000e-06 1.848661445702504e-06 PASS
Compare to other inputs