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

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run spack_foss-2022a_serial_debug

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032771210e+02 -3.184210032772400e+02 1.590000000000000e-10 1.190301190945320e-10 PASS
Energy [step 20] -3.184088237667331e+02 -3.184088237668212e+02 1.590000000000000e-10 8.810729923425242e-11 PASS
Multipoles [step 0] -1.216195976701140e-03 -1.211520628226222e-03 5.140000000000000e-06 -4.675348474917967e-06 PASS
Multipoles [step 20] -2.020317121184182e+00 -2.020315146839614e+00 5.140000000000000e-06 -1.974344567834407e-06 PASS
Compare to other inputs