[Wien] InP supercell

[Stefaan Cottenier]

> Actually I generate the case.struct file using supercell program. Then I
open
> the case.struct file from the web page. Then I remove the atom from the
> case.struct.
>
> But still does not work.

It should work... After this procedure, open the file case.struct directly.
Has the atom you wanted to remove really disappeared? Is the number of
inequivalent positions in the top lines of case.struct correct? If yes, then
do instgen and start init_lapw as usual (nn and sgroup will probably modify
your case.struct now, because after supercell/removal it is usually less
symmetric than it could be).

Stefaan