[Wien] Bethe-Salpeter Equition

"Chikashi Suzuki (鈴木知史)" suzuki.chikashi at jaea.go.jp
Thu Sep 4 06:51:16 CEST 2014


Dear Prof. Blaha and Wien2k users

My name is Chikashi Suzuki, from Japan Atomic Energy Agency.
I am running wien version WIEN2k 10.1.

I have tried to caclulate Cs M4,5 Xay absoprtion spectra of Cs compound.
Cs M4,5 XANES of CsCl is well reproduced
in case where the core hole is 0.6 (not 1.0),
though I cannot find this reason.

I found some studies where XANES spectra are well-repsoduced
using Bethe-Salpeter Equition with Wien2k code.
However, I cannot find how to calculate  XANES spectra using
Bethe-Salpeter Equition with Wien2k code.
(For example, what input file to use, and what to write
 in the input file)

What should I do in order to calculate XANES spectra using
Bethe-Salpeter Equition with Wien2k code.

Sincerely yours

***********************************
Dr. Chikashi Suzuki
Research Group for Accident Progression Analysis
Nuclear Science and Engineering Center
Japan Atomic Energy Agency
Tokai-mura, Naka-gun, Ibaraki-ken 319-1195, Japan
Tel: +81-29-282-5386
E-mail:suzuki.chikashi at jaea.go.jp
***********************************


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