14 lines
413 B
Plaintext
14 lines
413 B
Plaintext
# electrodes with equal-style ramped (electrode-)constant potential
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# for graphene-ionic liquid supercapacitor
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boundary p p f # slab calculation
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include settings.mod # styles, groups, computes and fixes
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kspace_modify slab 3.0
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variable v equal ramp(2,4)
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fix conp bot electrode/conp 0.0 1.979 couple top v_v symm on etypes 5
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thermo 50
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thermo_style custom step temp c_ctemp epair etotal c_qbot c_qtop v_v
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run 500
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