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

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Run spack_foss-2023a_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772415e+02 -3.184210032772400e+02 1.590000000000000e-10 -1.477928890381008e-12 PASS
Energy [step 20] -3.184088237669033e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.208189683500677e-11 PASS
Multipoles [step 0] -1.207321171442968e-03 -1.211520628226222e-03 5.140000000000000e-06 4.199456783253669e-06 PASS
Multipoles [step 20] -2.020313379637549e+00 -2.020315146839614e+00 5.140000000000000e-06 1.767202065128259e-06 PASS
Compare to other inputs