# Isolated Bi atom. Spin-polarized, collinear. zeemanfield 0.0 0.0 1.0 ndtset 6 udtset 3 2 nband1? 4 4 nspinor1? 1 nsppol1? 2 nspden1? 2 nband2? 8 nspinor2? 2 nsppol2? 1 nspden2? 4 nsym2? 1 nband3? 8 nspinor3? 2 nsppol3? 1 nspden3? 4 nsym3? 1 occopt?1 2 occ?1 5*1 3*0 occopt?2 7 tsmear?2 0.02 getwfk?2 -1 #Additional test for kinetic energy density prtkden 1 usekden 1 #Common data acell 3*10 #This parameter is of course for testing purposes only xred 3*0.0 kptopt 0 ntypat 1 znucl 83.d0 natom 1 typat 1 spinat 0 0 3 so_psp 0 ecut 8 nstep 20 toldfe 1.0d-7 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosHGH_pwteter/83bi.5.hgh" #%% #%% [setup] #%% executable = abinit #%% [files] #%% files_to_test = #%% t17.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0 #%% [paral_info] #%% max_nprocs = 2 #%% [extra_info] #%% authors = Unknown #%% keywords = #%% description = #%% Bi atom in a big supercell. #%% Test the application of a Zeeman field. #%% topics = MagField #%%