Input 06-caetrs.03-kick-tp1.inp

Commits > Commit c68f907d5c2dd67e7cea53ae6c080e7ec198375a > 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] -1.042955032652509e+01 -1.042955032652510e+01 5.210000000000000e-13 8.881784197001252e-15 PASS
Energy [step 10] -1.042953043332985e+01 -1.042953043332980e+01 5.210000000000000e-13 -4.796163466380676e-14 PASS
Energy [step 15] -1.042951704575812e+01 -1.042951704575810e+01 5.210000000000000e-13 -1.598721155460225e-14 PASS
Energy [step 20] -1.042950992989121e+01 -1.042950992989120e+01 5.210000000000000e-14 -7.105427357601002e-15 PASS
Dipole [step 1] -5.128417222138859e-16 1.780638116610150e-16 6.600000000000000e-15 -6.909055338749010e-16 PASS
Dipole [step 5] -7.296268646591296e-01 -7.296268646591400e-01 3.650000000000000e-14 1.032507412901396e-14 PASS
Dipole [step 10] -1.339614999322744e+00 -1.339614999322740e+00 1.100000000000000e-14 -4.218847493575595e-15 PASS
Dipole [step 15] -1.834337869774245e+00 -1.834337869774330e+00 9.170000000000000e-14 8.504308368628699e-14 PASS
Dipole [step 20] -2.215787801056111e+00 -2.215787801056110e+00 1.110000000000000e-14 -8.881784197001252e-16 PASS
Compare to other inputs