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Re: Atoms

Gilles asked:

 GH> Does it mean that the 244 version I'm using is not valid too ?

It's not invalid, per se.  But it is old, unsupported, and not under
development; and it contains known bugs.

 GH> BTW, one little thing I came across using a text editor is to use
 GH> two different potentials for an element on different
 GH> crsytallographic sites. Is that automatic in 2.5 ?

No, in that regard 2.5 is the same as 2.44.  But a choice of three
different schemes for assigning unique potentials *is* a feature of
3.0, which is new, supported, and under-development.  (Sadly, it also
contains known bugs, but that's life in the software development
biz. ;-)


 Bruce Ravel  ----------------------------------- ravel@phys.washington.edu
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