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

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772391e+02 -3.184210032772400e+02 1.590000000000000e-10 9.094947017729282e-13 PASS
Energy [step 20] -3.184088237669084e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.719780453247949e-11 PASS
Multipoles [step 0] -1.207010028018651e-03 -1.211520628226222e-03 5.140000000000000e-06 4.510600207570598e-06 PASS
Multipoles [step 20] -2.020313243732300e+00 -2.020315146839614e+00 5.140000000000000e-06 1.903107313960817e-06 PASS
Compare to other inputs