[Wien] help

[Gavin Abo]

Previous advice for troubleshooting the SELECT error with E-top of -200 
can be found at:

http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg14046.html
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12625.html

On 6/27/2016 3:08 PM, ADIL ES-SMAIRI wrote:
> Dear Blaha sir,I want to optimize the structure but the calculation 
> stops and displays the following message.
> how I can solve this problems:
>
> **  Error in Parallel LAPW1
> **  LAPW1 STOPPED at ن يون 27 13:07:33 WET 2016
> **  check ERROR FILES!
>  'SELECT' - no energy limits found for atom   1  L= 1
>  'SELECT' - E-bottom   -1.92726   E-top -200.00000
>  'SELECT' - no energy limits found for atom   1  L= 1
>  'SELECT' - E-bottom   -1.92726   E-top -200.00000
>  thank you.
>
> -- 
> --------------------------------------------------------------------
> Adil ES-SMAIRI
> PhD Student at university of Sultan Moulay Slimane
> Departement of physic-Beni Mellal
> Tel: +212 673 445 992
> ---------------------------------
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