# compute Chern number for 3 values of nuclear dipole: 0, +1, -1 # see test v7[32] for discussion of nuclear dipole ndtset 3 kptopt 3 nsym 1 symrel 1 0 0 0 1 0 0 0 1 orbmag 1 # activates Chern number nucdipmom1 0.0 0.0 0.0 0.0 0.0 0.0 pawcpxocc1 1 nucdipmom2 0.0 0.0 0.0 0.0 0.0 1.0 nucdipmom3 0.0 0.0 0.0 0.0 0.0 -1.0 optforces 0 optstress 0 pawcpxocc 2 usexcnhat 0 kptrlatt 4 4 -4 -4 4 -4 -4 4 4 ecut 5 pawecutdg 6 toldfe 1.0D-8 nband 4 symmorphi 0 prtwf 0 prtden 0 prteig 0 paral_atom 0 acell 3*10.620260682 rprim 0.000000000000000 0.500000000000000 0.500000000000000 0.500000000000000 0.000000000000000 0.500000000000000 0.500000000000000 0.500000000000000 0.000000000000000 natom 2 ntypat 2 typat 1 2 znucl 33 13 xred 0.250000000000000 0.250000000000000 0.250000000000000 0.000000000000000 0.000000000000000 0.000000000000000 pp_dirpath "$ABI_PSPDIR" pseudos "As.GGA-PBE-rpaw-2.10.abinit, Al.GGA-PBE-rpaw-2.00.abinit" #%% #%% [setup] #%% executable = abinit #%% [files] #%% files_to_test = #%% t33.out, tolnlines = 18, tolabs = 0.0, tolrel = 0.0, fld_options = -easy; #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = J. Zwanziger #%% keywords = PAW #%% description = Test Chern number calculation #%% topics = MagField #%%