[Pw_forum] error in phonon calculation
Stefano de Gironcoli
degironc at sissa.it
Tue Nov 16 14:02:55 CET 2004
The message you mention should come out when performing a calculation with
lsda flag on and fixed occupation . is this your situation ?
Since in lsda one should allow spin up and down state to find their
selfconsistent
value this choice is probably wrong.
However if you know that what you are doing is right, go ahead.
stefano
Jose C. Conesa wrote:
>Dear all,
>I tried to run a phonon calculation. When launching the ph.x program (after successfully
>completing the previous steps) I obtain the following output:
>
>
>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> from phq_setup : error # -1
>
>
>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>
>
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