[Wien] error using SUM in case.int

[Gavin Abo]

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 <http://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
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