Input 24-adsic_freeze_orbitals.02-td.inp

Commits > Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 > Run foss_valgrind_autotools: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -2.013509098871831e+00 -2.013509098871892e+00 1.150000000000000e-13 6.128431095930864e-14 PASS
Energy [step 100] -1.989121104550143e+00 -1.989121104550150e+00 4.510000000000000e-14 7.327471962526033e-15 PASS
Multipoles [step 0] -3.344985340466268e-15 4.218847493575595e-15 1.000000000000000e-04 -7.563832834041862e-15 PASS
Multipoles [step 100] -1.612839439176997e+00 -1.612839439176902e+00 1.660000000000000e-13 -9.525713551283843e-14 PASS
Populations [step 0] 3.227219525255342e-34 0.000000000000000e+00 1.000000000000000e-04 3.227219525255342e-34 PASS
Populations [step 100] -1.748307636292383e-01 -1.748307636292393e-01 5.950000000000000e-13 9.714451465470120e-16 PASS
Ionch [step 0] 9.999999999999997e-01 1.000000000000000e+00 1.000000000000000e-04 -3.330669073875470e-16 PASS
Ionch [step 100] 9.999999796208369e-01 1.000000000000000e+00 1.000000000000000e-04 -2.037916313479826e-08 PASS
Projections 1-1 [step 0] -1.796446360249964e-17 0.000000000000000e+00 1.000000000000000e-04 -1.796446360249964e-17 PASS
Projections 1-1 [step 100] 5.184501854147561e-02 5.184501854148654e-02 2.760000000000000e-13 -1.092875789865388e-14 PASS
Ly [step 0] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 100] -2.465823207504432e-16 8.373663656771763e-17 1.000000000000000e-04 -3.303189573181608e-16 PASS
Compare to other inputs