[Pw_forum] error occured

[Paolo Giannozzi]

On Tue, 2014-12-30 at 20:17 +0900, BhattMahesh Datt wrote:

> nat = 9

nine atoms

> Be    0.000000000        -0.288675135          4.359667099
> Be    0.000000000         0.288675135          3.548485449
> Be    0.000000000        -0.288675135          2.754655986
> Be    0.000000000  ! ;       0.2886755135         1.965554700
> Be    0.000000000         0.288675135          1.965554700
> Be    0.000000000        -0.288675135          1.178901500
> Be    0.000000000         0.288675135          0.392919700
> Be    0.000000000         -0.288675135        -0.392919700
> Be    0.000000000          0.2886755135       -1.178901500
> Be    0.000000000         -0.288675135        -1.965554700
> Be    0.000000000          0.288675135        -2.754655986
> Be    0.000000000       !   -0.288675135         3.548485449
> Be    0.000000000          0.288675135         -4.359667099

thirteen atoms?

Paolo

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