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

Commits > Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 > Run foss_mpi_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128278e+02 -3.184216450128310e+02 1.570000000000000e-11 3.183231456205249e-12 PASS
Energy [step 20] -3.184094654954786e+02 -3.184094654954693e+02 5.150000000000000e-11 -9.265477274311706e-12 PASS
Multipoles [step 0] -1.206849983713912e-03 -1.211520628226222e-03 9.480000000000001e-06 4.670644512310080e-06 PASS
Multipoles [step 20] -2.020306496728742e+00 -2.020306920872538e+00 1.600000000000000e-06 4.241437956409300e-07 PASS
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