[Pw_forum] a question about example06

[Paolo Giannozzi]

On Thursday 04 November 2004 02:26, Yi Kong wrote:

>    I have followed the example06 to calculate the phonon spectra of B2
> FeAl alloy. The pwscf program run and ended normally, but the two
> files named matdyn.out and phdos.out only have the following messages:
> %%%%%%%%%%%%%%%%%%%%%%%%%%%
>     from matdyn : error #        -1
>     non-analytic term for q=0 missing !
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

the meaning and reasons of the message is explained here:

http://www.democritos.it/pipermail/pw_forum/2003-May/000320.html
http://www.democritos.it/pipermail/pw_forum/2004-August/001249.html
http://www.democritos.it/pipermail/pw_forum/2004-August/001250.html

Anyway the code does not stop, it goes on. The desired output files
should be produced with no LO-TO splitting at q=0 (if any).

Paolo

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