XANES Absolute cross-section
From FEFF
The absolute cross section can be obtained from the output in ‘xmu.dat’. Look for this line:
xsedge+100, used to normalize mu 2.5908E-04
Since our distances are in
, we report cross section also in
. If you multiply the 4-th
or 5-th column by this normalization value you will obtain the cross section in
. Often the
absolute cross section is reported in barns, which have a simple connection with our units (1
= 100Mbarn).
Note that this normalization can be switched off using the ABSOLUTE card. This is set by default for ELNES and EXELFS calculation. The normalization factor will then show as "1.0".
[edit]
Calculation Strategies and Examples
XANES calculations
- Need for SCF and additional difficulties for XANES
- GeCl4 Molecule
- Solid: XANES and LDOS
- Absolute cross-section
[edit]
