Input 06-caetrs.02-kick.inp

Commits > Commit f2f698c8a25f386898063905e7c5eb25847969e0 > 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] -1.042955032652507e+01 -1.042955032652510e+01 5.210000000000000e-13 3.019806626980426e-14 PASS
Energy [step 10] -1.042953043332983e+01 -1.042953043332980e+01 5.210000000000000e-13 -2.664535259100376e-14 PASS
Energy [step 15] -1.042951704575812e+01 -1.042951704575810e+01 5.210000000000000e-13 -1.953992523340276e-14 PASS
Energy [step 20] -1.042950992989120e+01 -1.042950992989120e+01 5.210000000000000e-14 -1.776356839400250e-15 PASS
Dipole [step 1] 2.109423746787797e-15 1.780638116610150e-16 6.600000000000000e-15 1.931359935126782e-15 PASS
Dipole [step 5] -7.296268646591259e-01 -7.296268646591400e-01 3.650000000000000e-14 1.409983241273949e-14 PASS
Dipole [step 10] -1.339614999322741e+00 -1.339614999322740e+00 1.100000000000000e-14 -8.881784197001252e-16 PASS
Dipole [step 15] -1.834337869774241e+00 -1.834337869774330e+00 9.170000000000000e-14 8.881784197001252e-14 PASS
Dipole [step 20] -2.215787801056107e+00 -2.215787801056110e+00 1.110000000000000e-14 3.108624468950438e-15 PASS
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