Input 15-crank_nicolson.02-kick.inp

Commits > Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e > Run eb_foss-2022b_libxc6_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056698e+01 -1.058495024056700e+01 5.290000000000000e-14 2.309263891220326e-14 PASS
Energy [step 5] -1.042950046762284e+01 -1.042950046762280e+01 5.210000000000000e-13 -3.552713678800501e-14 PASS
Energy [step 10] -1.042949455599583e+01 -1.042949455599585e+01 5.470000000000000e-14 1.776356839400250e-14 PASS
Energy [step 15] -1.042949281135010e+01 -1.042949281135020e+01 5.210000000000000e-13 9.592326932761353e-14 PASS
Energy [step 20] -1.042949283327543e+01 -1.042949283327550e+01 5.210000000000000e-13 7.105427357601002e-14 PASS
Dipole [step 1] 2.109423746787797e-15 1.780638116610150e-16 6.520000000000000e-15 1.931359935126782e-15 PASS
Dipole [step 5] -7.295378386569020e-01 -7.295378386572620e-01 3.920000000000000e-13 3.599343045834758e-13 PASS
Dipole [step 10] -1.339265779872147e+00 -1.339265779872980e+00 8.630000000000000e-13 8.328893130737924e-13 PASS
Dipole [step 15] -1.833833176923824e+00 -1.833833176924580e+00 8.250000000000000e-13 7.556177905598815e-13 PASS
Dipole [step 20] -2.215306230136501e+00 -2.215306230136700e+00 1.110000000000000e-12 1.993960552226781e-13 PASS
Compare to other inputs