[Wien] problem with lapw1 during supercell calculations

[Peter Blaha]

It does not help to repeat the same question again.
With this info, nobody can help.

Am 21.05.2011 09:44, schrieb Pooja Rana:
> Respected Prof. Blaha and dear Wien2k users
>
> I am facing problem with lapw1 during scf of supercell in NaCl structure.
> The error as:
> lapw1.error
> 'SELECT' - no energy limits found for L= 2
> 'SELECT' - E-bottom -200.00000 E-top -200.00000
>
> I have tried all corrections in related files and also checked the
> structure file, it is generated successfully without any error. I have
> also done supercell calculations with zincblende structure, without any
> such type of error.
>
> Please guide my by your suggestions , how to rectify the problem.
>
> Many thanks
>
> with kind regards,
> /Pooja Rana
> //
> /
>
>
>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671