[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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