[Pw_forum] "charge is wrong" error

[Gabriele Sclauzero]

I think that CG style diagonalization has not been parallelized like the Davidson one, so 
these lines at the beginning of your output sound strange to me.

>      >
>      >      Iterative solution of the eigenvalue problem
>      >
>      >      a parallel distributed memory algorithm will be used,
>      >      eigenstates matrixes will be distributed block like on
>      >      ortho sub-group =    2*   2 procs
>      >
>      >

Maybe this is not source of any problem, but you could try to run specifying -ndiag 1 as a 
flag to the pw.x executable.

GS

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| Gabriele Sclauzero, PhD Student                  |
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