Is that possible calculating XANES using CP2K

Geng Sun sungen... at
Wed Aug 19 11:30:04 UTC 2015

Hello Everyone,

          I want to simulate the XANES spectroscopy of transition metal 
(Pt, Au for example, mainly needing L-edge) supporting on transition metal 
oxide. Can CP2K do that ?
          I notice that CP2K can calculate  XAS which seems similar to the 
XANES. But I am not very clear about their difference and I just know some 
primary ideas about them. 

          Could anyone give some general comment on the difference of XAS 
(in CP2K) and XANES. If I could simulate XANES using CP2K, what's the basic 
step to calculate XANES?
          Any advice or comments would be greatly appreciated

          Thanks in advance, 

Geng Sun

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