[Pw_forum] Error from coset

[Paolo Giannozzi]

On Wednesday 23 November 2005 01:16, Sergey Lisenkov wrote:

>  I did a mistake when converted the coordinates from crystal 
>  coordinates (VASP format) to in angstrom (pwscf format)

you can supply atomic positions in crystal coordinates. No warranty
that the crystal axis we use are the same of vasp, though, but in
the case of simple orthorhombic, the choice of the axis is obvious

> Now everything works and 8 symmetry operations is recognized.
> It was my fault

only in part: the code should find the symmetry for any atomic 
configuration. If however you are close to a symmetric state but 
not really there, strange things may happen

Paolo

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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