[Pw_forum] Problem with q2r.x
Paolo Giannozzi
giannozz at nest.sns.it
Tue Aug 29 08:29:27 CEST 2006
On Tuesday 29 August 2006 03:54, vu ongphuong wrote:
> I followed the example06 of PWSCF (for a grid of q-points, not only at
> Gamma as my case), but q2r.x give error message:
>
> forrtl: severe (19): invalid reference to variable in NAMELIST input,
> unit 5, file stdin, line 2, position 9
this error message is very clear: there is a problem in your input data
> Do the q2r.x run only in case of grid of q-points? and not in 1 point
> (Gamma)?
there is no point in performing the Fourier interpolation if you have
just Gamma
Paolo
--
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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