[Ifeffit] Core-hole Lifetimes in Hephaestus 0.9.26

[Matt Newville]

Hi Daniel,

Thanks - that does seem wrong.  FWIW, Larch uses XrayDB which uses corehole
widths from Krause and Oliver for Z>10 and Keski-Rahkoken nand Krause for
Z<10.
For the F K edge, this give 0.2089 eV.  For this or other core-hole widths,
and assuming you have Python installed, try:

  ~> pip install xraydb
  ~> python
  >>> import xraydb
  >>> xraydb.core_width('F', 'K')
  0.2089

Or install Larch and use

   ~> larch
   larch> core_width('F', 'K')
   0.2089



On Mon, Sep 28, 2020 at 12:08 PM Daniel Przyrembel <
daniel.przyrembel at fu-berlin.de> wrote:

> To Whom it may concern,
>
> I am quite sure there is a general lifetime/energy-width conversion error
> in Hephaestus: All core-hole lifetimes seem to come out too long by a
> factor of - as it seems exactly - 10:
> E.g. the lifetime of the F K-edge with a width of 0.25 eV is given as
> 25.30 fs instead of ca. 2.6 fs (width = h_bar / lifetime).
>
> This glitch was present in 0.9.25 already and, as I noticed after
> updating, prevails in 0.9.26. I have not tried earlier versions.
>
> Best regards,
>
> Daniel
>
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