Input 16-sparskit.02-kick.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056699e+01 -1.058495024056700e+01 1.060000000000000e-13 1.243449787580175e-14 PASS
Energy [step 5] -1.042950048806359e+01 -1.042950048806360e+01 5.210000000000000e-14 7.105427357601002e-15 PASS
Energy [step 10] -1.042949458890976e+01 -1.042949458890970e+01 5.210000000000000e-13 -5.684341886080801e-14 PASS
Energy [step 15] -1.042949286373714e+01 -1.042949286373710e+01 5.210000000000000e-13 -3.730349362740526e-14 PASS
Energy [step 20] -1.042949290569555e+01 -1.042949290569560e+01 5.210000000000000e-13 4.796163466380676e-14 PASS
Dipole [step 1] 1.186550857568136e-15 -4.333620525691201e-16 7.190000000000000e-15 1.619912910137256e-15 PASS
Dipole [step 5] -7.295378300608415e-01 -7.295378300608580e-01 3.650000000000000e-14 1.654232306691483e-14 PASS
Dipole [step 10] -1.339265738796747e+00 -1.339265738796780e+00 1.000000000000000e-10 3.241851231905457e-14 PASS
Dipole [step 15] -1.833833130199215e+00 -1.833833130199210e+00 9.170000000000000e-14 -5.329070518200751e-15 PASS
Dipole [step 20] -2.215306184110930e+00 -2.215306184110940e+00 1.110000000000000e-13 9.325873406851315e-15 PASS
Compare to other inputs