On Thu, 2014-08-14 at 23:42 +0000, Zimmerman, Jonathan A wrote:

>         it?s odd that a few of your CELL_PARAMETERS values are negative.
>         I?m not sure what that?s supposed to mean.

the three primitive vectors defining the lattice may have negative
cartesian components. Nothing is odd here

P.


-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222 

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