cubic_lattice.m

Creates a periodic volume-centered cubic lattice with user-supplied parameters.

Syntax

    [sys,inter]=cubic_lattice(isotope,spacing,n_periods)

Parameters

  isotope   - character string specifying the isotope,
              for example, '13C'

  spacing   - lattice spacing in Angstroms

  n_periods - number of lattice periods in each of the
              three spatial dimensions

Outputs

  sys, inter - Spinach input data structures with the
               following fields set:

               sys.isotopes, inter.coordinates, inter.pbc

See also

g2spinach.m, x2spinach.m, oparse.m, chemshifts.m, dilute.m, get_coupling.m, gtensorof.m, idxof.m, iselectron.m, isnucleus.m, isoswap.m, kill_spin.m, nearest_spin.m, shift_iso.m, Kernel_utilities

Version 2.1, authors: Ilya Kuprov