[Wien] core charge leakage in wien2k_10.1

[Md. Fhokrul Islam]

Hi Stefaan,

     Thanks. I did notice the warning about R0 and before I sent my earlier email I reduced it to 
0.00008 from the defalt value 0.0001 but the warning persited. But now I have reduced it 
further to 0.00001 and its working.  

Thanks again,
Fhokrul



> Date: Tue, 7 Sep 2010 15:20:31 +0200
> From: Stefaan.Cottenier at UGent.be
> To: wien at zeus.theochem.tuwien.ac.at
> Subject: Re: [Wien] core charge leakage in wien2k_10.1
> 
> 
> This error message is perhaps a bit misleading. Note that the actual 
> message is about R0, not about RMT:
> 
> > WARNING: R0 for atom  1 Z= 31.00 too big
> 
> Stefaan
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