[Wien] CORE electrons leak out of MT-sphere !!!!

[Peter Blaha]

and   x lapw1 -nmat_only

On 01/16/2013 03:03 PM, Stefaan Cottenier wrote:
>
>>                Could you kindly tell me how to know the number of
>> plave waves
>>                used in the wien2k calculation, or how to calculate
>> it?  Thanks
>>                a lot!
>
> grep :RKM case.scf
>
> (matrix size)
>
> Stefaan
>
>
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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: 
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