mirror of https://github.com/abinit/abinit.git
56 lines
2.4 KiB
Plaintext
56 lines
2.4 KiB
Plaintext
##############################################################################
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#Test for multibinit, 1-D spin chain, with 1st nearest neighbor AFM exchange and DMI
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##############################################################################
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prt_model = 0
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#--------------------------------------------------------------
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#Monte carlo / molecular dynamics
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#--------------------------------------------------------------
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dynamics = 0 ! disable molecular dynamics
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ncell = 4 1 1 ! size of supercell.
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#-------------------------------------------------------------
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#Spin dynamics
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#------------------------------------------------------------
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spin_dynamics= 2 ! enable spin dynamics. Depondt-Mertens algorithm.
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spin_ntime_pre =100000 ! warming up steps.
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spin_ntime =100000 ! number of steps.
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spin_nctime=1000 ! number of time steps between two nc file write
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spin_dt=1e-16 s ! time step.
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spin_init_state = 1 ! start from random
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spin_temperature = 1e-9 ! spin temperature. It is usually better to avoid 0.
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spin_sia_add = 1 ! add a single ion anistropy (SIA) term.
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spin_sia_k1amp = 1e-4 eV ! amplitude of SIA, 0.1 meV
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spin_sia_k1dir = 1.0 0.0 0.0 ! direction of SIA, easy axis along x.
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randomseed = 111111 ! DO NOT set randomseed. It is only for testing the code.
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##############################################################
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# This section is used only for regression testing of ABINIT #
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##############################################################
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## After modifying the following section, one might need to regenerate the pickle database with runtests.py -r
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = multibinit
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#%% need_cpp_vars = HAVE_XML
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#%% spin_pot= tmulti5_3.xml
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#%% exclude_builders = .*_nag_7.[01]_.*
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#%% coeff_xml = no
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#%% exec_args = --F03
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#%% [files]
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#%% files_to_test =
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#%% tmulti5_3.abo, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium;
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#%% [paral_info]
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#%% max_nprocs = 1
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#%% [extra_info]
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#%% authors = X. He
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#%% keywords = Effective potential, multibinit, spinpot, MINIMAL
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#%% description =
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#%% 1-D spin chain, with 1st nearest neighbor AFM exchange and DMI.
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#%% 1NN J=5 meV, 1NN D=(0, 0, 2) meV with two neighboring D opposite.
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#%% This is to show how to see the spin canting.
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#%% topics = SpinDynamicsMultibinit
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#%%<END TEST_INFO>
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