The ABINIT Users Mailing List ( CLOSED )

[Natalie Holzwarth <natalie@wfu.edu>]

Are you, by chance, using an older version of abinit?   If so, could you
try abinit-5.2.4 or higher?    I think that there is an incompatibility
with the current version of atompaw and atompaw2abinit and abinit-4.6.5.


Natalie Holzwarth

On Mon, 16 Apr 2007, Pascal Rausch wrote:

> Hi,
>
> I just generated a Germanium PAW, the input file is appended. Since the
> PAW is generated without any errors I assume it is ok. I am using
> atompaw2abinit without realspace optimitzation and the default grid.
> Even taking the Se LDA PAW from this
> http://www.wfu.edu/%7Enatalie/papers/pwpaw/periodictable/periodictable.html
> site results in the error.
>
>  psp7in: ERROR -
>   Sphere grid data are inconsistent (rcut/=r(imax)) !
>   Action: check your pseudopotential file.
>
>  leave_new : decision taken to exit ...
>
>
>
> Any suggestions?
>
>
> Pascal Rausch
>
>
>

N. A. W. Holzwarth                      email: natalie@wfu.edu
Department of Physics                   www: http://www.wfu.edu/~natalie
Wake Forest University                  voice: 336-758-5510
Winston-Salem, NC 27109-7507            fax: 336-758-6142
U. S. A.