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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