12 lines
397 B
Plaintext
12 lines
397 B
Plaintext
# electrodes with constant potential using finite field
|
|
# for z-periodic graphene-ionic liquid supercapacitor
|
|
|
|
boundary p p p # ffield uses periodic z-boundary and no slab
|
|
include settings.mod # styles, groups, computes and fixes
|
|
|
|
fix conp bot electrode/conp -1.0 1.979 couple top 1.0 symm on etypes 5 ffield yes
|
|
|
|
thermo 50
|
|
thermo_style custom step temp c_ctemp epair etotal c_qbot c_qtop
|
|
run 500
|