[Pw_forum] error: nc already filled

[Paolo Giannozzi]

Hi

> I guess there was some error during nscf calculations.

unlikely

> another reason for this could be the use of
> different basis vectors (or symmetry) for phonon and
> q2r programs.

as above

> Please check also nr1, nr2, and nr3  in your q2r.in file.

I vote for this.  The q2r code does not check if you provided
the right values for nr1, nr2, nr3 (there is no simple way 
to implement this) and it does not even check if you provided
any value at all. In the latter case, unpredictable behaviour 
may follow. From the error message, it looks like 
nr1=nr2=nr3=0 .

> They should be the same for q-points generation. 

exactly: I guess 4, 4, 4, in this case

Paolo

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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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