[Wien] SPHBES - Error

[Peter Blaha]

Does it occur with small RKMAX too ?

How does your struct file look like ?

Am 28.01.2012 14:57, schrieb Bouabdellah AZOUZA:
> Respected Sir,
>   I am running wien version 11 on a machine of type I3 with
> operating system lunix 11.3, fortran compiler ifort
> I am running this case (MgFeH3.struct) (Perovskite structure).After
> defining and initializing the structure for RMTKmax=9, during SCF run
> it reports an error as :
>
>   Error in LAPW1
> SPHBES - Error
>
> for RMTKmax=8,9.5 during SCF run it reports an error as :
> error in lapw2
> L2main –OT –B.GT 15 Ghostbands chek scf files
> Kindly help me how to remove this errors
>
> Best regards
>
> Bouabdellah azouza
>
> Department of Physics, USTHB Algiers Algeria
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-- 

                                       P.Blaha
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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/
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