makelat

MAKE LATtice, by Axel van de Walle
Utility setting up directories with maps input files for a given alloy system
and for one or multiple lattices.

Syntax: makelat [-o] [-s=scale] atom1,atom2,... lattice1,lattice2,...

Make sure that there are commas but no spaces between atoms and similarly between the lattices.

Examples:
  makelat Al,Ni bcc,fcc
  makelat Ca,Mg:O rocksalt

  (note the : to separate sublattices)
  The default scale is 1. It can be changed to allow for units other than angstroms.
  The -o option outputs to strout.

Lattices available:
B2 bcc bcc-oct bcc-tet diamond fcc fcc-oct fcc-octtet fcc-tet hcp hcp-oct hcp-tet L11 rocksalt sc 
                     wurtzite zincblende

Other lattices can be added in the /home/avdw/avdw/atat/data/ directory or
new atomic radius can be added in the /home/avdw/avdw/atat/data/radii.in file.