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

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_serial_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772406e+02 -3.184210032771824e+02 9.690000000000000e-11 -5.820766091346741e-11 PASS
Energy [step 20] -3.184088237669067e+02 -3.184088237668212e+02 1.100000000000000e-10 -8.543565854779445e-11 PASS
Multipoles [step 0] -1.206951910577916e-03 -1.211520628226222e-03 5.140000000000000e-06 4.568717648305515e-06 PASS
Multipoles [step 20] -2.020313218895844e+00 -2.020315146839614e+00 5.140000000000000e-06 1.927943769963747e-06 PASS
Compare to other inputs