[Pw_forum] Error message : ph.x

Paolo Giannozzi giannozz at nest.sns.it
Sun Jul 18 21:53:54 CEST 2004

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 


Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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