[Pw_forum] linmin error#2

mutombo mutombo at fzu.cz
Wed Jan 15 15:10:25 CET 2003


 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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