Input 14-fullerene_unpacked.02-td-unpacked.inp

Commits > Commit 37e237ddc5fb12f3241bf77b2f48251725ccbfb8 > Run eb_foss-2022b_libxc6_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772403e+02 -3.184210032771824e+02 9.690000000000000e-11 -5.786660040030256e-11 PASS
Energy [step 20] -3.184088237669091e+02 -3.184088237668212e+02 1.100000000000000e-10 -8.782308213994838e-11 PASS
Multipoles [step 0] -1.207036537173661e-03 -1.211520628226222e-03 5.140000000000000e-06 4.484091052560585e-06 PASS
Multipoles [step 20] -2.020313255141664e+00 -2.020315146839614e+00 5.140000000000000e-06 1.891697950284765e-06 PASS
Compare to other inputs