... by the way: are you really sure you need more than 999 real-space boxes? I am quite sure 999 was chosen as a sufficiently large number nobody would ever need. Please have a look at example03 in PP/examples.
Paolo On Sun, Sep 29, 2019 at 8:46 PM Paolo Giannozzi <[email protected]> wrote: > On Sun, Sep 29, 2019 at 8:16 AM Lucas Nicolás Lodeiro Moraga < > [email protected]> 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. >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) >> users mailing list [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users > > > > -- > 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 > > -- 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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