[Wien] (no subject)

[Peter Blaha]

Most likely your case.struct is wrong (wrong RMT, lattice parameters, 
atomic positions,....), but without further details we can only 
speculate ...

On 07/15/2014 02:33 PM, delamora wrote:
> One possible solution is to run;
>
>          run -in1new 1
>
> This changes the
>
>          case.in1
>
> You may need to run it few times.
>
> ------------------------------------------------------------------------
> *De:* wien-bounces at zeus.theochem.tuwien.ac.at
> <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de sikandar azam
> <sikandar_hu at yahoo.com>
> *Enviado:* martes, 15 de julio de 2014 04:35 a.m.
> *Para:* Wien at zeus.theochem.tuwien.ac.at
> *Asunto:* [Wien] (no subject)
> Dear All
> Please help me how to solve this problem
> Error in LAPW1 'SELECT' - no energy limits found for atom 1 L= 0
> 'SELECT' - E-bottom -200.00000 E-top -200.00000
> with regards
> sikander
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: 
http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------