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

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2023a_serial_debug

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032771210e+02 -3.184210032771824e+02 9.690000000000000e-11 6.144773578853346e-11 PASS
Energy [step 20] -3.184088237667331e+02 -3.184088237668212e+02 1.100000000000000e-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