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tests/regression/Domain/4/post/test.conf
r745874 r274d45 35 35 RelEpsTotalE 1e-07 # relative change in total energy 36 36 RelEpsKineticE 1e-05 # relative change in kinetic energy 37 MaxMinStopStep 0# check every ..th steps37 MaxMinStopStep 1 # check every ..th steps 38 38 MaxMinGapStopStep 1 # check every ..th steps 39 39 … … 42 42 InitRelEpsTotalE 1e-05 # relative change in total energy 43 43 InitRelEpsKineticE 0.0001 # relative change in kinetic energy 44 InitMaxMinStopStep 0# check every ..th steps44 InitMaxMinStopStep 1 # check every ..th steps 45 45 InitMaxMinGapStopStep 1 # check every ..th steps 46 46 … … 55 55 RiemannTensor 0 # (Use metric) 56 56 PsiType 0 # 0 - doubly occupied, 1 - SpinUp,SpinDown 57 MaxPsiDouble 0# here: specifying both maximum number of SpinUp- and -Down-states58 PsiMaxNoUp 0# here: specifying maximum number of SpinUp-states59 PsiMaxNoDown 0# here: specifying maximum number of SpinDown-states57 MaxPsiDouble 1 # here: specifying both maximum number of SpinUp- and -Down-states 58 PsiMaxNoUp 1 # here: specifying maximum number of SpinUp-states 59 PsiMaxNoDown 1 # here: specifying maximum number of SpinDown-states 60 60 AddPsis 0 # Additional unoccupied Psis for bandgap determination 61 61
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