Input 15-crank_nicolson.02-kick.inp

Commits > Commit 2b00e292f829221e67a290b840b53bb41bb59499 > Run eb_foss-2022b_libxc6

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056696e+01 -1.058495024056700e+01 5.290000000000000e-14 4.085620730620576e-14 PASS
Energy [step 5] -1.042950046762293e+01 -1.042950046762280e+01 5.210000000000000e-13 -1.278976924368180e-13 PASS
Energy [step 10] -1.042949455599585e+01 -1.042949455599585e+01 5.470000000000000e-14 -3.552713678800501e-15 PASS
Energy [step 15] -1.042949281135021e+01 -1.042949281135020e+01 5.210000000000000e-13 -1.243449787580175e-14 PASS
Energy [step 20] -1.042949283327557e+01 -1.042949283327550e+01 5.210000000000000e-13 -7.105427357601002e-14 PASS
Dipole [step 1] -5.128417222138859e-16 1.780638116610150e-16 6.520000000000000e-15 -6.909055338749010e-16 PASS
Dipole [step 5] -7.295378386576019e-01 -7.295378386572620e-01 3.920000000000000e-13 -3.399502901402229e-13 PASS
Dipole [step 10] -1.339265779873713e+00 -1.339265779872980e+00 8.630000000000000e-13 -7.334133300673784e-13 PASS
Dipole [step 15] -1.833833176925328e+00 -1.833833176924580e+00 8.250000000000000e-13 -7.482903185973555e-13 PASS
Dipole [step 20] -2.215306230136991e+00 -2.215306230136700e+00 1.110000000000000e-12 -2.908784324517910e-13 PASS
Compare to other inputs