[Wien] clmval
John Appleton
banger_deep at yahoo.com
Sat Oct 21 17:59:53 CEST 2006
Dear WIEN USER,
I wish to compute clmval for a single atom
but at a specific position in a cell. However,
I always get a warning indicating that the
the atom should be shifted to the origin during
initialization. If I ignore the warnings, i get the
following error at x dstart: ROTDEF - Error
How do I circumvent this problem?
Thanks
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