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of
The new has the following additional features:
- automatic conversion from/to Å and Bohr
- Use spacegroup information (in conjuntion with the
spacegroup program (see 9.4 to generate
equivalent positions)
- built in calculator to carry out simple arithmetic operations to
specify the position parameters (of the equivalent atoms). Each
position of equivalent atoms can be entered as a number, a fraction
(e.g. 1/3) or a simple expression (e.g. 0.21+1/3). The first
position defines the variables x, y and z, which can be using in
expression defining the other positions (e.g. -y, x, -z+1/2).
2000-04-11