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Diagnostic files from XSPH


 
'misc.dat'

Header file for quick reference.
'phaseNN.dat'

Complex phase shifts for each shell.
'phminNN.dat'

Real part of phase shifts for tex2html_wrap_inline3197=0,1,2 only. They are smaller versions of corresponding 'phaseNN.dat'.
'potNN.dat'

Detailed atomic potentials and densities.
'atomNN.dat'

Diagnostic information on Desclaux free atom NN.



John J. Rehr
Thu Jul 1 14:31:17 PDT 1999