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[matthieu verstraete <matthieu.jean.verstraete@gmail.com>]

This is fine: the k-points are completed by symmetry from the
high-symmetry low-nkpt case. The second warning should probably be
phrased differently, as it is not a problem. We might even do away
with the warning altogether. If abinit really can not generate a given
k-point from those given, it will stop.

Matthieu

On Tue, Jul 21, 2009 at 4:49 AM, Turan Birol<tb283@cornell.edu> wrote:
> Dear Abiniters,
>
> I am doing a response function calculation for an ionic crystal at
> Gamma, and so far following the steps in response function tutorial
> have been pretty much enough. However, there is a question that
> troubles me: When a dataset gets the wave function from a previous
> dataset, the following warning is generated:
>
> -------
>  hdr_check: WARNING -
>  input nkpt=      72 not equal disk file nkpt=      10
>
> (...)
>
>  hdr_check: WARNING -
>  Restart of self-consistent calculation need translated wavefunctions.
>  Indeed, critical differences between current calculation and
>  restart file have been detected in:
>        * the number, position, or weight of k-points
>        * the format of wavefunctions (istwfk)
> -------
>
> Well, the number of k points' being different is a natural result of
> using diffrent kptopt, and I believe I really do not need the
> translated wavefunctions since I am doing my calculation at Gamma. So
> I don't see anything wrong but the warning persists, even for the
> tutorial example trf1_5 . I just wanted to see what you'd think: Do
> you think there is a problem, or does it look safe to ignore this
> error.
>
> Thanks,
> Turan.
>



-- 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dr. Matthieu Verstraete

European Theoretical Spectroscopy Facility (ETSF)
Dpto. Fisica de Materiales,
U. del Pais Vasco,
Centro Joxe Mari Korta, Av. de Tolosa, 72,   Phone: +34-943018393
E-20018 Donostia-San Sebastian, Spain        Fax  : +34-943018390

Mail : matthieu.jean.verstraete@gmail.com
http://www-users.york.ac.uk/~mjv500