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

Commits > Commit adb0a770f40b5954f8a07de2fe2e63c9718fe526 > Run intel-2022a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772421e+02 -3.184210032771824e+02 9.690000000000000e-11 -5.968558980384842e-11 PASS
Energy [step 20] -3.184088237669062e+02 -3.184088237668212e+02 1.100000000000000e-10 -8.492406777804717e-11 PASS
Multipoles [step 0] -1.207096979481223e-03 -1.211520628226222e-03 5.140000000000000e-06 4.423648744998837e-06 PASS
Multipoles [step 20] -2.020313281750032e+00 -2.020315146839614e+00 5.140000000000000e-06 1.865089581887247e-06 PASS
Compare to other inputs