[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.
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