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

Commits > Commit e321051bfbbb5a5d40cc69c07d513888d3b3fbd3 > Run intel_mpi_autotools: [intel2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128282e+02 -3.184216450128310e+02 1.570000000000000e-11 2.842170943040401e-12 PASS
Energy [step 20] -3.184094654954757e+02 -3.184094654954693e+02 5.150000000000000e-11 -6.423306331271306e-12 PASS
Multipoles [step 0] -1.206891439569882e-03 -1.211520628226222e-03 9.480000000000001e-06 4.629188656339817e-06 PASS
Multipoles [step 20] -2.020306514749571e+00 -2.020306920872538e+00 1.600000000000000e-06 4.061229668117505e-07 PASS
Compare to other inputs