[Wien] uplapw1.error for SO

Gavin Abo gsabo at crimson.ua.edu
Sat Dec 26 17:35:32 CET 2015


http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg13206.html
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12625.html

On 12/26/2015 6:19 AM, Tarek Hammad wrote:
> Dear all
> I am running SO calculations for SmFe2. However, for spin-polarised 
> caculations I have no problem, but when I manage to continue for SO 
> running I have got " uplapw1.error " that is :
> 'SELECT' - no energy limits found for atom   1  L= 0
>  'SELECT' - E-bottom -200.00000   E-top -200.00000 .
> Would you help????
> Thanks in advance.
> Tarek Hammad.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20151226/ffd19b5c/attachment.html>


More information about the Wien mailing list