FEFF5: An ab initio multiple scattering XAFS code
FEFF5 is an efficient automated code which calculates multiple scattering (MS) curved wave XAFS spectra for molecules and solids. The theoretical ingredients and approximations contained in the code are revised, with the aim of describing the how XAFS spectra are efficiently simulated. The FEFF5 code consists of 4 independent modules: a scattering potential and phase shift module, a path finder module, a scattering amplitude module and an XAFS module. Multiple scattering Debye-Waller factors are built in using a correlated Debye model.
- Research Organization:
- Washington Univ., Seattle, WA (United States). Dept. of Physics
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- FG06-90ER45415
- OSTI ID:
- 10142418
- Report Number(s):
- DOE/ER/45415-7; ON: DE93011000
- Resource Relation:
- Other Information: PBD: [1992]
- Country of Publication:
- United States
- Language:
- English
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FEFF5: An ab initio multiple scattering XAFS code. [In FORTRAN 77]
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Related Subjects
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