Clearly, for isomer shifts it might be that the problem is fixed by
taking an appropriate alpha when converting into mm/s.
I share this opinion. The density at the first mesh point is probably
quite 'wrong', but roughly by the same factor. And as isomer shifts are
calibrated against a few ex
For hyperfine fields we follow Bluegels work and average the spin
density as mentioned below.
However, I'm not aware about a similar argument for isomer shifts (and
I'm not familiar with electron capture).
Clearly, for isomer shifts it might be that the problem is fixed by
taking an appropriat
I am curious about Peter's answer:
I would have expected that the problem of nuclear decay through electron
capture is very closely related to the one of calculating hyperfine
parameters like isomer shift or hyperfine field. At first sight the
calculation of these parameters suffers from the
In principle you are absolutely right. The question is only, for wich
property does it really matter.
At the moment I do not have plans to put a finite nucleus into the code
myself.
On 01/17/2014 01:03 PM, Amlan Ray wrote:
Dear Prof. Blaha,
I use WIEN2K code for calculating electron density
Dear Prof. Blaha,
I use WIEN2K code for calculating electron density at the nucleus to determine
the change of electron capture nuclear decay rate in different environments.
WIEN2K uses a point nucleus and I use the value of the electron density at the
first mesh point as given by the code. I am
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