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

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run eb_foss-2022b_libxc6_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056696e+01 -1.058495024056700e+01 5.290000000000000e-14 3.730349362740526e-14 PASS
Energy [step 5] -1.042955032652508e+01 -1.042955032652510e+01 5.210000000000000e-13 1.598721155460225e-14 PASS
Energy [step 10] -1.042953043332984e+01 -1.042953043332980e+01 5.210000000000000e-13 -4.263256414560601e-14 PASS
Energy [step 15] -1.042951704575814e+01 -1.042951704575810e+01 5.210000000000000e-13 -3.730349362740526e-14 PASS
Energy [step 20] -1.042950992989119e+01 -1.042950992989120e+01 5.210000000000000e-14 8.881784197001252e-15 PASS
Dipole [step 1] 2.219375501248937e-15 1.494990959640600e-16 6.600000000000000e-15 2.069876405284877e-15 PASS
Dipole [step 5] -7.296268646591261e-01 -7.296268646591400e-01 3.650000000000000e-14 1.387778780781446e-14 PASS
Dipole [step 10] -1.339614999322740e+00 -1.339614999322740e+00 1.100000000000000e-14 4.440892098500626e-16 PASS
Dipole [step 15] -1.834337869774244e+00 -1.834337869774330e+00 9.170000000000000e-14 8.615330671091215e-14 PASS
Dipole [step 20] -2.215787801056111e+00 -2.215787801056115e+00 1.110000000000000e-14 3.996802888650564e-15 PASS
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