Input 16-sparskit.02-kick.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056697e+01 -1.058495024056700e+01 1.060000000000000e-13 2.664535259100376e-14 PASS
Energy [step 5] -1.042950048806357e+01 -1.042950048806360e+01 5.210000000000000e-14 2.486899575160351e-14 PASS
Energy [step 10] -1.042949458890975e+01 -1.042949458890970e+01 5.210000000000000e-13 -4.973799150320701e-14 PASS
Energy [step 15] -1.042949286373713e+01 -1.042949286373710e+01 5.210000000000000e-13 -3.375077994860476e-14 PASS
Energy [step 20] -1.042949290569555e+01 -1.042949290569560e+01 5.210000000000000e-13 5.329070518200751e-14 PASS
Dipole [step 1] -4.212696597810650e-15 -4.333620525691201e-16 7.190000000000000e-15 -3.779334545241529e-15 PASS
Dipole [step 5] -7.295378300608457e-01 -7.295378300608580e-01 3.650000000000000e-14 1.232347557333924e-14 PASS
Dipole [step 10] -1.339265738796751e+00 -1.339265738796780e+00 1.000000000000000e-10 2.842170943040401e-14 PASS
Dipole [step 15] -1.833833130199211e+00 -1.833833130199210e+00 9.170000000000000e-14 -1.110223024625157e-15 PASS
Dipole [step 20] -2.215306184110938e+00 -2.215306184110940e+00 1.110000000000000e-13 1.776356839400250e-15 PASS
Compare to other inputs