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

[Jinjan Ren]

Hi Peter Blaha and Stefaan Cottenier :
            Thanks for your answer. But I canot understant what does "and   x
            lapw1 -nmat_only" means?  I have found some parameters in the scf
            file (see below). so could you kindly tell me how to calculate the
            number of plane waves?
Best;
Jinjun

 RKM  : MATRIX SIZE 1256LOs: 106  RKM= 7.00  WEIGHT= 2.00  PGR:









 wrote on 2013-01-16:
> 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
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