Input 24-adsic_freeze_orbitals.02-td.inp

Commits > Commit 008ad309696fa333cadd72656d8ad6622d802226 > Run foss-ppc: [foss2022a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -2.013509098871996e+00 -2.013509098871892e+00 1.150000000000000e-13 -1.039168751049147e-13 PASS
Energy [step 100] -1.989121104550192e+00 -1.989121104550150e+00 4.510000000000000e-14 -4.152234112098085e-14 PASS
Multipoles [step 0] -4.160608648723110e-15 4.218847493575595e-15 1.000000000000000e-04 -8.379456142298704e-15 PASS
Multipoles [step 100] -1.612839439176752e+00 -1.612839439176902e+00 1.660000000000000e-13 1.501021529293212e-13 PASS
Populations [step 0] 4.088496167473361e-34 0.000000000000000e+00 1.000000000000000e-04 4.088496167473361e-34 PASS
Populations [step 100] -1.748307636292632e-01 -1.748307636292393e-01 5.950000000000000e-13 -2.386979502944087e-14 PASS
Ionch [step 0] 9.999999999999999e-01 1.000000000000000e+00 1.000000000000000e-04 -1.110223024625157e-16 PASS
Ionch [step 100] 9.999999796208321e-01 1.000000000000000e+00 1.000000000000000e-04 -2.037916790875727e-08 PASS
Projections 1-1 [step 0] 2.022003008769611e-17 0.000000000000000e+00 1.000000000000000e-04 2.022003008769611e-17 PASS
Projections 1-1 [step 100] 5.184501854150129e-02 5.184501854148654e-02 2.760000000000000e-13 1.474514954580286e-14 PASS
Ly [step 0] 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Ly [step 100] 3.103908279675062e-16 8.373663656771763e-17 1.000000000000000e-04 2.266541913997886e-16 PASS
Compare to other inputs