mirror of https://github.com/abinit/abinit.git
50 lines
2.0 KiB
Plaintext
50 lines
2.0 KiB
Plaintext
##############################################################################
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#Test for multibinit, just read xml and run spin dynamics
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##############################################################################
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prt_model = 0
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ncell = 16 16 16 ! number of unit cells in supercell
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spin_dynamics = 1 ! switch on spin dynamics
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spin_init_state = 2 ! ferromagnetic initial state
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spin_temperature = 600 ! temperature of spin (Kelvin)
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spin_ntime_pre = 10000 ! time steps for thermolization
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spin_ntime = 20000 ! time steps for measurement
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spin_nctime = 100 ! Number of time steps between two writes
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! into netcdf
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spin_dt = 1e-16 s ! Time step (seconds)
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spin_projection_qpoint = 0.0 0.0 0.0 ! Wave vector for summation of spin in each
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! sublattice.
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spin_write_traj = 0 ! do not write spin trajectory to netcdf file
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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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#%%<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_1.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_1.abo,tolnlines = 1, tolabs = 2.000e+03, tolrel = 3.000e-1, 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
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#%% description =
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#%% read xml and run spin dynamics.
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#%% The system is a simple cubic system with one spin per uc.
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#%% The exchange is defined so that the Tc is about 620 K.
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#%% Note: ncell, spin_ntime_pre, and spin_ntime are small.
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#%% topics = SpinDynamicsMultibinit
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#%%<END TEST_INFO>
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