[Wien] hyper fine field on different platforms

[Lyudmila Dobysheva]

On 31 October 2006 16:12, Björn Hülsen wrote:
>  Wien2k 6.4 for a IBM Power5 system and a Pentium 4 cluster.
>  the values for the hyper fine fields show large differences
>  Pentium 4
>  :HFF001: HFF: 230.220           0.000        -320.734         -90.514
>  Power5
>  :HFF001: HFF: 369.412           0.000        -318.441           50.971

Very strange, I have never met with such. Couldn't it be that you have 
occasionally made different options for the potential approximation in 
case.in0 (LDA, GGA, ...)?
Then it is possible to obtain close numbers for the integrated over the cell 
values, but very different in the nucleus region. Look also at :RUP and :RDN. 
Are they both different? 
And look at partial numbers of s-electrons in the :QTL line?

Best wishes
Lyudmila Dobysheva
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