############################################################################## #Test for multibinit, just read xml and run spin dynamics ############################################################################## prt_model = 0 ncell = 16 16 16 ! number of unit cells in supercell spin_dynamics = 1 ! switch on spin dynamics spin_init_state = 2 ! ferromagnetic initial state spin_temperature = 600 ! temperature of spin (Kelvin) spin_ntime_pre = 10000 ! time steps for thermolization spin_ntime = 20000 ! time steps for measurement spin_nctime = 100 ! Number of time steps between two writes ! into netcdf spin_dt = 1e-16 s ! Time step (seconds) spin_projection_qpoint = 0.0 0.0 0.0 ! Wave vector for summation of spin in each ! sublattice. spin_write_traj = 0 ! do not write spin trajectory to netcdf file randomseed = 111111 ! DO NOT set randomseed. It is only for testing the code. ############################################################## # This section is used only for regression testing of ABINIT # ############################################################## #%% #%% [setup] #%% executable = multibinit #%% need_cpp_vars = HAVE_XML #%% spin_pot= tmulti5_1.xml #%% exclude_builders = .*_nag_7.[01]_.* #%% coeff_xml = no #%% exec_args = --F03 #%% [files] #%% files_to_test = #%% tmulti5_1.abo,tolnlines = 1, tolabs = 2.000e+03, tolrel = 3.000e-1, fld_options = -medium; #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = X. He #%% keywords = Effective potential, multibinit, spinpot #%% description = #%% read xml and run spin dynamics. #%% The system is a simple cubic system with one spin per uc. #%% The exchange is defined so that the Tc is about 620 K. #%% Note: ncell, spin_ntime_pre, and spin_ntime are small. #%% topics = SpinDynamicsMultibinit #%%