[ase-users] crystal error

Yuelin Li ylli at aps.anl.gov
Thu Jan 20 23:04:05 CET 2011


Cannot get through with the example in the manual ...

------------------------------------------------------------------------------------------

diamond = crystal('C', [(0,0,0)], spacegroup=227, cellpar=[a, a, a, 90, 
90, 90])
   File "<stdin>", line 1
     diamond = crystal('C', [(0,0,0)], spacegroup=227, cellpar=[a, a, a, 
90, 90, 90])
                       ^
SyntaxError: invalid syntax

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