[Wien] isomer shift

[vandao at urisan.tche.br]

I know, the problem is that using analysi I'm not finding the ROTxxx.
Where do I find the ROTxxxx?



>
>> I'm in doubt, where I find the isomer shift WIEN2K? What is the exit?
>
> As this equation shows:
>
>>> IS=alpha(rho(Fe) - rho(Fe_reference).
>>> rho(): stands for the density at the nucleus
>
> the isomer shift is a difference. Hence, you cannot find it directly in
> the output. You need two calculations (two materials). The density at
> the nucleus is given by :RTOxxx.
>
> Stefaan
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