Function make_structure

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Function `make_structure`

$\begin{boxedminipage}{\textwidth} \begin{verbatim}structure = make_structure(lattice,type,motif)\end{verbatim} \end{boxedminipage}$

Given a lattice type (P,I,F,A,B,C) and a motif, creates an atoms object which consists of the motif applied to each lattice point in one unit cell. This object can then be supercelled.

e.g. The following code creates the YBCO superconductor structure, and allows the oxygen positions to be changed by altering delta_O:

$\begin{boxedminipage}{\textwidth} \begin{verbatim}type(atoms) :: ybco type(... ...,motif)call supercell(big_ybco,ybco,2,2,2)\end{verbatim} \end{boxedminipage}$

lattice -- real(dp), dimension(3,3), intent(in)

type -- character(1), intent(in)

motif -- type(table), intent(in)

Return value -- type(Atoms)

system_module module

gabor 2009-06-30