[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
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