Input 16-sparskit.02-kick.inp

Commits > Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac > Run spack_intel-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056696e+01 -1.058495024056700e+01 1.060000000000000e-13 3.552713678800501e-14 PASS
Energy [step 5] -1.042950048806359e+01 -1.042950048806360e+01 5.210000000000000e-14 1.243449787580175e-14 PASS
Energy [step 10] -1.042949458890975e+01 -1.042949458890970e+01 5.210000000000000e-13 -5.329070518200751e-14 PASS
Energy [step 15] -1.042949286373714e+01 -1.042949286373710e+01 5.210000000000000e-13 -3.907985046680551e-14 PASS
Energy [step 20] -1.042949290569555e+01 -1.042949290569560e+01 5.210000000000000e-13 4.618527782440651e-14 PASS
Dipole [step 1] 3.323216701822673e-15 -4.333620525691201e-16 7.190000000000000e-15 3.756578754391793e-15 PASS
Dipole [step 5] -7.295378300608386e-01 -7.295378300608580e-01 3.650000000000000e-14 1.942890293094024e-14 PASS
Dipole [step 10] -1.339265738796744e+00 -1.339265738796780e+00 1.000000000000000e-10 3.552713678800501e-14 PASS
Dipole [step 15] -1.833833130199205e+00 -1.833833130199210e+00 9.170000000000000e-14 4.662936703425657e-15 PASS
Dipole [step 20] -2.215306184110932e+00 -2.215306184110940e+00 1.110000000000000e-13 7.993605777301127e-15 PASS
Compare to other inputs