[Pw_forum] Error message : ph.x

[Paolo Giannozzi]

On Sunday 18 July 2004 06:10, ashima wrote:
>
> I got the following error message in the vibrational calculations of
>  a molecule by ph.x :
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>  from cinterpolate : error #         1
>  not implemented
> 
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

> What's the meaning of above error message ?.

it is a confusing error message - now fixed - meaning that
the phonon code contained in Gamma/ (specific for molecules)
needs data produced by pw.x using Gamma-point algorithms; 
or vice versa, the phonon code in PH (the generic one)
cannot process data produced by pw.x using Gamma-point 
algorithms

Paolo

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