"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Commands_all.html)

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pair_style lebedeva/z command :h3

[Syntax:]

pair_style \[hybrid/overlay ...\] lebedeva/z cutoff :pre

[Examples:]

pair_style hybrid/overlay lebedeva/z 20.0
pair_coeff * * none
pair_coeff 1 2 lebedeva/z  CC.Lebedeva   C C :pre

pair_style hybrid/overlay rebo lebedeva/z 14.0
pair_coeff * * rebo        CH.rebo       C C
pair_coeff 1 2 lebedeva/z  CC.Lebedeva   C C :pre

[Description:]

The {lebedeva/z} style computes the Lebedeva interaction
potential as described in "(Lebedeva et al.)"_#Leb01. An important simplification is made,
which is to take all normals along the z-axis.

:c,image(Eqs/pair_lebedeva.png)

It is important to have a sufficiently large cutoff to ensure smooth forces.
Energies are shifted so that they go continuously to zero at the cutoff assuming
that the exponential part of {Vij} (first term) decays sufficiently fast.
This shift is achieved by the last term in the equation for {Vij} above.

The parameter file (e.g. CC.Lebedeva), is intended for use with metal
"units"_units.html, with energies in meV. An additional parameter, {S},
is available to facilitate scaling of energies.

This potential must be used in combination with hybrid/overlay.
Other interactions can be set to zero using pair_style {none}.

[Restrictions:]

This fix is part of the USER-MISC package.  It is only enabled if
LAMMPS was built with that package.  See the "Build
package"_Build_package.html doc page for more info.

[Related commands:]

"pair_coeff"_pair_coeff.html,
"pair_style none"_pair_none.html,
"pair_style hybrid/overlay"_pair_hybrid.html,
"pair_style drip"_pair_drip.html,
"pair_style ilp/graphene/hbd"_pair_ilp_graphene_hbn.html,
"pair_style kolmogorov/crespi/z"_pair_kolmogorov_crespi_z.html,
"pair_style kolmogorov/crespi/full"_pair_kolmogorov_crespi_full.html.

[Default:] none

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:link(Leb01)
[(Lebedeva et al.)] I. V. Lebedeva, A. A. Knizhnik, A. M. Popov, Y. E. Lozovik, B. V. Potapkin, Phys. Rev. B, 84, 245437 (2011)

