[QE-users] Projwfc.x , n_proj_boxes error

Lucas Nicolás Lodeiro Moraga lucas.lodeiro at ug.uchile.cl
Sun Sep 29 08:16:11 CEST 2019


Hi QE users.
I am calculating Local DOS for a big system. In the case the
n_proj_boxes=1000 gives me the error:
task # 51 from do_projwfc : error # 19 reading projwfc name list

But when I use 999 boxes works fine. I explore the code, and a defined
variable caught my attention. INTEGER, PARAMETER :: N_MAX_BOXES = 999
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?

Regards

PD: I am using the QE 6.1 version.
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