Input 06-caetrs.04-kick-tp2.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > 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 1.494990959640600e-16 6.600000000000000e-15 -6.623408181779460e-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 -2.215787801056115e+00 1.200000000000000e-14 3.996802888650564e-15 PASS
Compare to other inputs