Input 02-propagators.02-cnsparskit.inp

Commits > Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b > Run foss-cmake-zen4: [foss2023a-serial, foss-full]

Matches

Name Value Reference Precision Difference Status
Forces [step 1] 8.537673799433199e-02 8.537673799433354e-02 1.250000000000000e-14 -1.554312234475219e-15 PASS
Forces [step 20] 7.964959635257030e-02 7.964959635257580e-02 7.040000000000000e-15 -5.509481759702339e-15 PASS
Energy [step 1] -1.060686608766759e+01 -1.060686608766762e+01 1.060000000000000e-13 2.486899575160351e-14 PASS
Energy [step 20] -1.060637261154880e+01 -1.060637261154880e+01 1.060000000000000e-13 -3.552713678800501e-15 PASS
Multipoles [step 1] 2.481417964172745e-15 5.879834888021430e-16 4.510000000000000e-15 1.893434475370602e-15 PASS
Multipoles [step 20] -1.265304528942228e-01 -1.265304528942195e-01 6.870000000000000e-15 -3.330669073875470e-15 PASS
Compare to other inputs