Reading Cartesian coordinates

Dave Moore dtmoore at
Mon Jul 21 13:13:38 BST 2003

Hello all,

I think I have asked this at least once before, but I cannot find the answer
in the mailing list archives.  Does anyone know how to access the cartesian
coordiantes of a given atom during or after the calculation?  This is (of
course) particularly useful for  automatically calculating geometrical
parameters after a geometry optimization, for example.  It seems like this
should be pretty straightforward but I cannot find anything about it in the
manual anywhere.

Thanks in advance for your help,

Dave Moore

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