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

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Run spack_foss-2023a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128287e+02 -3.184216450128310e+02 6.500000000000000e-12 2.330580173293129e-12 PASS
Energy [step 20] -3.184094654954703e+02 -3.184094654954693e+02 1.330000000000000e-11 -9.663381206337363e-13 PASS
Multipoles [step 0] -1.207369550066020e-03 -1.211520628226222e-03 9.480000000000001e-06 4.151078160201599e-06 PASS
Multipoles [step 20] -2.020306723575932e+00 -2.020306920872538e+00 6.190000000000000e-07 1.972966061636328e-07 PASS
Compare to other inputs