JDFTx  1.0.0
lattice

Syntax:

lattice  [<modification>] <lattice> <parameters...>
    | \
    <R00> <R01> <R02> \
    <R10> <R11> <R12> \
    <R20> <R21> <R22>

Description:

Specify lattice by name and parameters, or manually lattice vectors (in columns). The options for the [<modification>] <lattice> <parameters...> scheme are:

  • Triclinic <a> <b> <c> <alpha> <beta> <gamma>
  • [Base-Centered] Monoclinic <a> <b> <c> <beta>
  • [Base|Body|Face-Centered] Orthorhombic <a> <b> <c>
  • [Body-Centered] Tetragonal <a> <c>
  • Rhombohedral <a> <alpha>
  • Hexagonal <a> <c>
  • [Body|Face-Centered] Cubic <a>

Properties:

Requires:     (None)

Forbids:     (None)

Allow multiple:    no

Default:     (None)

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