# -*- coding: utf-8 mode: shell-script -*- CalculationMode = gs Dimensions = 1 fromScratch = yes BoxShape = sphere Spacing = 0.6 Radius = 50.0 %Species "Li1D" | species_user_defined | potential_formula | "-3/sqrt(1+(x)^2)" | valence | 3 % %Coordinates "Li1D" | 0 % SpinComponents = spin_polarized XCFunctional = lda_x_1d + lda_c_1d_csc EigenSolver = cg_new ConvRelDens = 1e-4 ConvAbsEv = 1e-5 MixField = density StatesPack = yes