[Wien] Error while running +/- 0.5e calculation
Gavin Abo
gsabo at crimson.ua.edu
Sat Jan 3 23:44:16 CET 2015
See the description for "NO ENERGY LIMITS FOUND IN SELECT" in section
"12 Trouble shooting" of the WIEN2k usersguide [
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ]. As it says,
the SELECT error has probably happened because "your input is not ok"
(like the input files case.struct and case.in1).
On 1/3/2015 6:31 AM, Abed Reg wrote:
>
> Dear wien2k users
>
> I have found this mail send by
>
> Yurko Natanzon
> <http://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=from:%22Yurko+Natanzon%22>
> Wed, 18 Jun 2008 20:34:21 +0200
> <http://www.mail-archive.com/search?l=wien@zeus.theochem.tuwien.ac.at&q=date:20080618>
>
>
> but i didn't find reply.
>
> When i wanted to do same calculation (same example:NiO) with the same
> 'SELECT' - no energy limits found for L= 1
> 'SELECT' - E-bottom -1.51500 E-top -200.00000
>
> Best regards
> --
> Mr: A.Reggad
> Laboratoire de Génie Physique
> Université Ibn Khaldoun - Tiaret
> Algerie
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150103/e559138b/attachment.html>
More information about the Wien
mailing list