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

Commits > Commit f4bc596bdcf3afff33b833944576bfd5457df1bc > Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128280e+02 -3.184216450128310e+02 1.570000000000000e-11 3.012701199622825e-12 PASS
Energy [step 20] -3.184094654954712e+02 -3.184094654954693e+02 5.150000000000000e-11 -1.875832822406664e-12 PASS
Multipoles [step 0] -1.207213604563023e-03 -1.211520628226222e-03 9.480000000000001e-06 4.307023663198623e-06 PASS
Multipoles [step 20] -2.020306656026285e+00 -2.020306920872538e+00 1.600000000000000e-06 2.648462533727525e-07 PASS
Compare to other inputs