Re: [Ifeffit] core hole lifetime in XANES calculation using FEFF82

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