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 \AA, we report cross section also in \AA^2. If you multiply the 4-th or 5-th column by this normalization value you will obtain the cross section in \AA^2. Often the absolute cross section is reported in barns, which have a simple connection with our units (1 \AA^2 = 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".


Calculation Strategies and Examples

XANES calculations

  1. Need for SCF and additional difficulties for XANES
  2. GeCl4 Molecule
  3. Solid: XANES and LDOS
  4. Absolute cross-section

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