############################################################################## #Test for multibinit, 1-D spin chain, with 1st nearest neighbor AFM exchange and DMI ############################################################################## prt_model = 0 #-------------------------------------------------------------- #Monte carlo / molecular dynamics #-------------------------------------------------------------- dynamics = 0 ! disable molecular dynamics ncell = 4 1 1 ! size of supercell. #------------------------------------------------------------- #Spin dynamics #------------------------------------------------------------ spin_dynamics= 2 ! enable spin dynamics. Depondt-Mertens algorithm. spin_ntime_pre =100000 ! warming up steps. spin_ntime =100000 ! number of steps. spin_nctime=1000 ! number of time steps between two nc file write spin_dt=1e-16 s ! time step. spin_init_state = 1 ! start from random spin_temperature = 1e-9 ! spin temperature. It is usually better to avoid 0. spin_sia_add = 1 ! add a single ion anistropy (SIA) term. spin_sia_k1amp = 1e-4 eV ! amplitude of SIA, 0.1 meV spin_sia_k1dir = 1.0 0.0 0.0 ! direction of SIA, easy axis along x. ## After modifying the following section, one might need to regenerate the pickle database with runtests.py -r #%% #%% [setup] #%% executable = multibinit #%% need_cpp_vars = HAVE_XML #%% system_xml = tmulti5_3.xml #%% exclude_builders = .*_nag_7.0_.* #%% coeff_xml = no #%% [files] #%% files_to_test = #%% tmulti5_3.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium; #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = X. He #%% keywords = Effective potential, multibinit #%% description = #%% 1-D spin chain, with 1st nearest neighbor AFM exchange and DMI. #%% 1NN J=5 meV, 1NN D=(0, 0, 2) meV with two neighboring D opposite. #%% This is to show how to see the spin canting. #%%