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

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Run intel-omp: [intel2022a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128262e+02 -3.184216450128310e+02 1.570000000000000e-11 4.831690603168681e-12 PASS
Energy [step 20] -3.184094654954786e+02 -3.184094654954693e+02 5.150000000000000e-11 -9.322320693172514e-12 PASS
Multipoles [step 0] -1.206849880834374e-03 -1.211520628226222e-03 9.480000000000001e-06 4.670747391848301e-06 PASS
Multipoles [step 20] -2.020306496684066e+00 -2.020306920872538e+00 1.600000000000000e-06 4.241884714595301e-07 PASS
Compare to other inputs