44.0 11.0
cubic
bohr
0.0000 5.1306 5.1306
5.1306 0.0000 5.1306
5.1306 5.1306 0.0000
crystal
2
-0.125 -0.125 -0.125 14
 0.125  0.125  0.125 14
2 2 2

# example input file for convert_old_to_new.x for Si
# coordinates are crystal, in units of the lattice vectors
# Note: you need high precision in the lattice vectors
# so that the volume calculated from them matches the volume
# in the input file
# The kgrid in the last line is only read if the kgrid in
# the wfn file contains a zero, since pre-r307 paratec writes
# 0 0 0 for shifted grids.

# charge-density and wave-function cutoffs (in Ry)
# cubic or hexagonal symmetry group
# units of the lattice vectors (bohr, angstrom)
# a1x a1y a1z
# a2x a2y a2z
# a3x a3y a3z
# units of the atomic positions (bohr, angstrom, crystal)
# number of atoms
# x1, y1, z1, atomic number 1
# x2, y2, z2, atomic number 2
# etc.
# kgrid_x kgrid_y kgrid_z
