CTM4XAS

Last modified by alldritt@helsinki_fi on 2024/02/07 06:22

About CTM4XAS

The CTM4XAS program is intended as a general user-friendly program that can be used to simulate core level spectra. The program is not intended to compete with ab-initio multiplet codes that are being developed. References to the recent theory developments can be found in the micron paper.

As the source codes for the CTM4XAS calculations, we use the charge transfer multiplet program as developed by Theo Thole and modified by Haruhiko Ogasawara. As yet the CTM4XAS interface is limited to the XAS, XPS and XES spectra (including their circular dichroism) of transition metal systems. The CTM program itself can also be used for other elements and additional experiments such as Auger, resonant photoemission and RIXS spectra. The CTM4RIXS program for RIXS calculations is available in beta mode.

  • Atomic/crystal field/charge transfer multiplet code): XAS,XES,XPS,RIXS

Website: http://www.anorg.chem.uu.nl/CTM4XAS/http://www.abinit.org/

Latest version: v5.5

Documentation

All documentation can be found in the readme.txt file in the CTM4XAS installation archive. Help files, installation notes, user guides, and additional information is available in that file. Additional notes will be found here.

Compiling and Installing Abinit

Platforms

Source Code Access

No source code access is available. Prepackaged binaries for Windows are available after registering.