XMCD calculation

From FEFF

XMCD Gd L1 edge

Example input file for calculation of XMCD for the Gd L1 edge. Note the presence of both SPIN and XMCD cards.

Gd L1 edge.

TITLE Gd l1 hcp

HOLE 2 1.0 2=l1 edge, s0^2=1.0
SPIN 1
EXCHANGE 2 0.0 0.0
RGRID .01

CONTROL 1 1 1 1 1 1

RPATH 7.29
PRINT 5 0 0 0 0 3

CRITERIA 0.0 0.0 curved plane
DEBYE 150 176 temp debye-temp
XANES
XMCD


POTENTIALS
*   ipot  z label
      0  64  Gd
      1  64  Gd

ATOMS
the list of atoms is created by ATOMS program
---------------------------------------------
title Gd , hcp
! Wycoff, vol.1 p.331
space hcp
rmax = 9.0
a = 3.6354
c = 5.7817
atom
Gd  0.33333  0.66667  0.25  center
-----------------------------------

Calculation Strategies and Examples

Spin dependent calculations

  1. General description
  2. XMCD
  3. SPXAS

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