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Re: [abinit-forum] X-ray absorption routines?


Chronological Thread 
  • From: Francois Jollet <francois.jollet@cea.fr>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] X-ray absorption routines?
  • Date: Wed, 30 May 2007 11:50:41 +0200

Dear Paul,

Such a module is under development in our lab. The coding is done and now some validation must be performed, as well as improvement for parallelisation. It should be committed into ABINIT in september.

François


paul fons wrote:

I was curious if anyone had put together code to calculate the dipole response to x-ray absorption using abinit (e.g. as Wien2K does). I know that a pseudopotential with a core hole can be generated, but can a similar thing be done with the PAW code?



Paul Fons
Team Leader
Nano-Optics Research Team
paul-fons@aist.go.jp <mailto:paul-fons@aist.go.jp>

Center for Applied Near-Field Optics
National Institute of Advanced Industrial Technology
Tsukuba Central 4, Higashi 1-1-1
Tsukuba, Ibaraki Japan 305-8562

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