autocell Module

  • Uses:

  • konstanter
  • helpers
  • geometryfunctions
  • type_crystalstructure
module~~autocell~~UsesGraph module~autocell autocell konstanter konstanter konstanter->module~autocell type_crystalstructure type_crystalstructure type_crystalstructure->module~autocell helpers helpers helpers->module~autocell geometryfunctions geometryfunctions geometryfunctions->module~autocell
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module~~autocell~~UsesGraph module~autocell autocell konstanter konstanter konstanter->module~autocell type_crystalstructure type_crystalstructure type_crystalstructure->module~autocell helpers helpers helpers->module~autocell geometryfunctions geometryfunctions geometryfunctions->module~autocell
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Subroutines

public subroutine return_supercellmatrix(p, na, supercellmatrix)

return a good supercell matrix

Arguments

Type IntentOptional AttributesName
type(lo_crystalstructure), intent(in) :: p

unitcell

integer, intent(in) :: na

desired number of atoms

integer, intent(out), dimension(3,3):: supercellmatrix

fashionable supercell matrix