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

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772428e+02 -3.184210032772400e+02 1.590000000000000e-10 -2.842170943040401e-12 PASS
Energy [step 20] -3.184088237668998e+02 -3.184088237668212e+02 1.590000000000000e-10 -7.861444828449748e-11 PASS
Multipoles [step 0] -1.207662999873849e-03 -1.211520628226222e-03 5.140000000000000e-06 3.857628352373294e-06 PASS
Multipoles [step 20] -2.020313528549583e+00 -2.020315146839614e+00 5.140000000000000e-06 1.618290030869218e-06 PASS
Compare to other inputs