[Wien] error using SUM in case.int

[Chouaib AHMANI FERDI]

thank you for you replt, i used cgrace, it worked

On Sat, Dec 16, 2017 at 7:27 PM, Gavin Abo <gsabo at crimson.ua.edu> wrote:

> After running "x tetra", did you run "dosplot2_lapw -i" (see section
> 5.10.5 dosplot2_lapw [1]) or "Cgrace_dos_lapw" (see section 5.10.6
> Cgrace_lapw, Cgrace_conf_lapw and Cgrace_dos_lapw [1]) in a terminal while
> in the case directory?
>
> On the other hand, there is no mention of SUM-DOS option for dosplot (in
> section 5.10.4 dosplot_lapw [1]).  So the dosplot used by w2web most likely
> cannot plot the output from the SUM-DOS option.
>
> [1] WIEN2k 17.1 usersguide: http://susi.theochem.tuwien.
> ac.at/reg_user/textbooks/usersguide.pdf
>
> On 12/15/2017 6:47 PM, Chouaib AHMANI FERDI wrote:
>
> Greetings Wien2k users,
>
> I would like to sum the total DOS of all atoms present in the cell of a
> certain element, or just to sum say eg and teg orbitals.
> I modified the case.int so as to put :
> e.g.
> SUM: 1 2
>  1 2
>
> run tetra but the plot does not show up for some reason.
>
> How it is done ?
>
> --
> AHMANI FERDI Chouaïb
> "Laboratoire Matériaux Nanomatériaux Nanomagnétisme
>   et Enseignement des Sciences"
> Ecole Normale Supérieure
> Université Mohammed V, Rabat.
> Tel : +212 6 94 59 57 60
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/
> wien at zeus.theochem.tuwien.ac.at/index.html
>
>


-- 
AHMANI FERDI Chouaïb
"Laboratoire Matériaux Nanomatériaux Nanomagnétisme
  et Enseignement des Sciences"
Ecole Normale Supérieure
Université Mohammed V, Rabat.
Tel : +212 6 94 59 57 60
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20171217/a642c0e9/attachment-0001.html>