Input 02-propagators.02-cnsparskit.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_autotools: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Forces [step 1] 8.537673799433643e-02 8.537673799433354e-02 1.250000000000000e-14 2.886579864025407e-15 PASS
Forces [step 20] 7.964959635257340e-02 7.964959635257580e-02 7.040000000000000e-15 -2.400857290751901e-15 PASS
Energy [step 1] -1.060686608766760e+01 -1.060686608766762e+01 1.060000000000000e-13 1.776356839400250e-14 PASS
Energy [step 20] -1.060637261154881e+01 -1.060637261154880e+01 1.060000000000000e-13 -8.881784197001252e-15 PASS
Multipoles [step 1] 4.267685692143329e-15 1.824331091466839e-16 4.490000000000000e-15 4.085252582996645e-15 PASS
Multipoles [step 20] -1.265304528942159e-01 -1.265304528942171e-01 6.810000000000000e-15 1.221245327087672e-15 PASS
Compare to other inputs