[Pw_forum] linmin error#2

[Stefano de Gironcoli]

did you restrated the calculation from scratch, removing files in the tmp_directory ?
if they are present the program try to use them....
and they contain the wromg coordinates
stefano

mutombo wrote:

>  Dear Stefano
> You are right. My coordinates were in angstrom.  Unfortunately I still get the same
> error message  even after converting them in the right format.
> Regards,
>                                  Pingo
>
> > dear mutombo,
> >
> >     I dont want to check your input.... sorry.
> >
> >     however remember that the atomic coordinates used by PWSCF are
> > (unless you specify ltaucry=.true.)  in cartesian coordinates in unit of celldm(1)
> >  Your coordinates look more like cartesian coordinates in bohr radii, or
> > angstrom or Km...
> > YOU should know what they are... and should convert them in the format required
> > by PWSCF
> >
> > regards,
> >
> >    stefano
> >
>
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