[Wien] error using SUM in case.int

Chouaib AHMANI FERDI ahmaniferdichouaib at gmail.com
Sat Dec 16 02:47:00 CET 2017


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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20171216/f4c4636c/attachment.html>


More information about the Wien mailing list