56 lines
1.3 KiB
Plaintext
56 lines
1.3 KiB
Plaintext
# fcc cobalt in a 3d box
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clear
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units metal
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atom_style spin
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dimension 3
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boundary p p f
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# check why?
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atom_modify map array
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lattice fcc 3.54
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region box block 0.0 50.0 0.0 50.0 0.0 4.0
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create_box 1 box
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create_atoms 1 box
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# setting mass, mag. moments, and interactions for cobalt
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mass 1 58.93
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set group all spin/random 31 1.72
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#pair_style hybrid/overlay eam/alloy pair/spin/exchange 4.0 pair/spin/soc/neel 4.0
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pair_style hybrid/overlay pair/spin/exchange 4.0 pair/spin/soc/dmi 2.6
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pair_coeff * * pair/spin/exchange exchange 4.0 0.0446928 0.003496 1.4885
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pair_coeff * * pair/spin/soc/dmi dmi 2.6 0.01 0.0 0.0 1.0
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#pair_coeff * * pair/spin/soc/neel neel 4.0 0.003330282 0.864159 2.13731
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neighbor 0.1 bin
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neigh_modify every 10 check yes delay 20
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fix 1 all force/spin anisotropy 0.0001 0.0 0.0 1.0
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fix 2 all langevin/spin 0.0 0.1 0.0 21
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fix 3 all integration/spin lattice no
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timestep 0.0002
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# define output and run
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compute out_mag all compute/spin
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variable magz equal c_out_mag[4]
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variable magnorm equal c_out_mag[5]
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variable emag equal c_out_mag[6]
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variable tmag equal c_out_mag[7]
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variable mag_force equal f_1
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thermo_style custom step time v_magnorm v_emag etotal
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thermo 50
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dump 1 all custom 50 dump_skyrmion.lammpstrj type x y z spx spy spz
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run 10000
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