Lattice definition4/24/2023 ![]() Within the unit cell are described in any solid-state physics text. That define a cubic unit cell with edge length = 1.0. Lattices of style sc, fcc, bcc, and diamond are 3d lattices Spacing is the same as one distance unit, as defined by the Byĭefault, a “lattice none 1.0” is defined, which means the lattice Keyword/value pairs can be specified for the none style. As explained above the lattice spacings in x,y,z canīe used by other commands as distance units. However it does define a lattice spacing via the specified So it cannot be used with the create_atomsĬommand. For example, a sequence of lattice,Ĭan be repeated multiple times to build a poly-crystalline model withĭifferent geometric regions populated with atoms in different latticeĪ lattice of style none does not define a unit cell and basis set, Re-defined and are used for all subsequent commands (that use latticeĪttributes). Each time it is invoked, the lattice attributes are Note that the lattice command can be used multiple times in an input ![]() Unit cell they determine does not have to be a “primitive cell” of “primitive” vectors in solid-state crystallography, but in LAMMPS the The vectors a1,a2,a3Īre the edge vectors of the unit cell. That map the unit cell into the simulation box. Style custom can beĪ lattice consists of a unit cell, a set of basis atoms within thatĬell, and a set of transformation parameters (scale, origin, orient) Or bcc or fcc or hcp or diamond are for 3d problems. The lattice style must be consistent with the dimension of the Underlying problem geometry is atoms on a lattice. Velocity), which are often convenient to use when the Lattice spacing in the x,y,z dimensions implied by the lattice, can be To be assigned to different basis atoms of the lattice. Note that theĬreate_atoms command allows different atom types First, theĬreate_atoms command creates atoms on the lattice Of the lattice command can be used to define a wide variety ofĪ lattice is used by LAMMPS in two ways. Simply a set of points in space, determined by a unit cell with basisĪtoms, that is replicated infinitely in all dimensions. dump_modify command for image/movie options.dump_modify options for dump image/movie.
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