I have really only worked with Feff9.0 but I don't think there were a changes
between the two except for the GUI JFeff.
Chris
On Nov 17, 2012, at 10:06 PM, Wei Li wrote:
> Thank, Chris. Do I need a Feff8 or Feff9 to do the job?
>
> Wei
>
>
> On Sat, Nov 17, 2012 at 9:44 PM, Chris Patridge
Thank, Chris. Do I need a Feff8 or Feff9 to do the job?
Wei
On Sat, Nov 17, 2012 at 9:44 PM, Chris Patridge wrote:
> Wei,
>
> Your calculated results give some sort of structural information of the
> material? You can simply augment an existing Feff file and paste the
> atomic positions. One
Wei,
Your calculated results give some sort of structural information of the
material? You can simply augment an existing Feff file and paste the atomic
positions. One particular advantage of the program is that the absorbing atom
does not need to be positioned at the origin. You designate t
Dear colleagues,
If I have a structural model with geometry optimised by DFT, how do I
obtain a theoretical XANES spectrum based on that model?
Second questions is how to calculation the projected density of states
(PDOS). Thanks!
best regards
Wei
--
Wei Li
Postdoc researcher
Environmental Soi
