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Cm - Compare geometry with the one in another file

Here you can read in another file (Section 2.6.11.1) to compare with the current geometry. The two files must be consistent with each other; ideally, they represent the same system, but atomic positions are different.

A table with atomic positions and the difference in atomic coordinates in the two files is shown on the screen. Note that the periodic symmetry is taken into account when comparing two points in space. Atoms with a difference in atomic coordinates larger than 0.1 $\textrm{Å}$ will be indicated by the asterisk *.



Lev Kantorovich 2006-05-08