[Ifeffit] core hole lifetime in XANES calculation using FEFF82

[John J. Rehr]

Hi Qi,

  Short answer is yes; you can use a negative Vi to reduce core-hole
broadening up to a negative value of -gamach/2 
However, the code always has a minimum broadening of about 0.1 eV
for convergence purposes.

  J. Rehr




On Wed, 29 Mar 2006, Qi Q Z wrote:

> Dear all,
>    Feff82 uses the data from K. Rahkonen and K. Krause (Atomic Data and
> Nuclear Data Tables, Vol 14, Number 2, 1974) to set
> core hole lifetime(gamach parameter).  My question is if people can set
> gamach parameter in Feff82 by themselves? may I use a minus vi0 in EXCHANGE
> card to reduce broading caused by core hole lifetime?
>
> Thanks in advance.
>
> Qi
>