[Pw_forum] BN polarization

[swapnil chandratre]

Hi Paolo

Does it mean that instead of improving k points, i need to improve geometry
, or the unit cell dimensions, etc. Sorry if the question sounds too
immature.
On Mon, Oct 17, 2011 at 2:34 AM, Paolo Giannozzi <giannozz at democritos.it>wrote:

> 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
>
>
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-- 
Regards,
Swapnil Chandratre
Graduate Student
Dept. of Mechanical Engineering,
University of Houston,
Houston, TX
(M)-713-294-9546
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