[QE-users] Projwfc.x , n_proj_boxes error

[Paolo Giannozzi]

On Sun, Sep 29, 2019 at 8:16 AM Lucas Nicolás Lodeiro Moraga <
lucas.lodeiro at ug.uchile.cl> wrote:

>
> I explore the code, and a defined variable caught my attention. INTEGER,
> PARAMETER :: N_MAX_BOXES = 999
>

exploring the code is a good idea. Just explore it a little bit more: what
is N_MAX_BOXES used for?

This answer my question about the error, but I have 2 new doubts.
> 1) The error is not the causal if error defined in the code:
>   IF ( ( n_proj_boxes > N_MAX_BOXES ) .or. ( n_proj_boxes < 1 ) ) &
>      CALL errore ('projwave_boxes', 'n_proj_boxes not correct', abs
> (n_proj_boxes) )
> Why can this be?
> 2) Can I change the N_MAX_BOXES value in the code to bigger integer value
> like 3000 or 4000 without in-code problem? There are some reasons to define
> a maximum allowed number to boxes?
>

you can change it, there is a reason (variables irmin and irmax have to be
dimensioned before they are read)

Paolo

>
> Regards
>
> PD: I am using the QE 6.1 version.
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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