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Example: X-Ray Scattering
Setting up the
X-Ray Source Parameters
Click on the
Modeling parameters
tab. Enter model parameters as described below:
Models
Model for total spectrum
: select
Lindhard
from the drop-down menu.
Static model
: select
SOCP
from the drop-down menu.
Bound-free models
Check the
Add bound-free
checkbox.
Bound-free model
: select
IA
from the drop-down menu.
Continuum lowering model:
select
SP
from the drop-down menu.
Normalization for bound-free model
: select
FK
from the drop-down menu.
Integration parameters, enter the
Number of points
for:
Dawson: 32
Distribution: 32
PVI: 32
Relaxation: 2048
FFT: 2048
Tolerance: Enter 0.001
Check
Use advanced mixing model.
Polarizability:
real: enter 0.
imaginary: enter 0.
Check
Generate input file for standalone XRTS code
if you want to have these parameters saved in an input file suitable to run XRTS offline.
Next
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SPECT3D 20.5.0