[Pw_forum] Problem with q2r.x

[Paolo Giannozzi]

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 
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