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Contents
- filein (a40) : wfn file name
- origin(3) (free format) : coordinates of the origin of the box
defining the grid
- edge(3) (free format) : length of the edges of the box in Bohr
- intervalx, intervaly, intervalz (free format) : number of
intervals on each edge.
Choose the number of intervals in order to have steps of about 0.1 a.u and
to avoid grid points in a symmetry plane.
in output the program generates title_elf.sbf, title_rho.sbf and
itle_lap.sbf files)in which title is the first non-blank characters of the
title in gaussian input (here water)
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