[Pw_forum] BN polarization

[Paolo Giannozzi]

On Sun, 2011-10-16 at 18:21 -0500, swapnil chandratre wrote:

>  can anyone suggest how to rectify this error

format the error messgae and it will look like a suggestion:

>  translated G=  -7.987E-2  -4.6114E-002 0.0
>  with crystal coordinates    0  -1  0
>  corresponds to ng=  0  but  G(ng)= 0.0  0.0 0.0
>  probably because G_par is NOT a reciprocal lattice vector 
>  Possible choices as smallest  G_par:
>   i=            1    G=    0.00  0.00  0.00
>   i=            2    G=    0.00  0.00 -0.1666666666666667

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy