[Wien] (no subject)

[Peter Blaha]

No reasonable information - no help possible.

My guess:  your structure is (very ??) wrong.

On 03/31/2015 09:51 AM, Suman Bangar wrote:
> i found an error about Li,H and added H
> we take rmt for Li=2.0, H=1.3, addaed H=0.95 in space group of
> fm-225,in NaCl structure (B1).
>
> Error in LAPW1
>   'SELECT' - no energy limits found for L= 0
>   'SELECT' - E-bottom -200.00000   E-top -200.00000
>
> please suggest me
>
> thanx
>
>
> with regards
> suman banger
> s.o.s.in physics
> jiwaji university
> gwalior m.p.
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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