 RMCXAS: eXafs And Scattering 08/21/24mw mac                                     
 PID   2728
  
 initialize rmc
 open log book
 INRIET
 INAFF
 INRIET replaces partially input from rmc.par and rmc.ucc
 input parameters
 input / generate coordinates of phase:   1
 generate coordinates   768
 input / generate coordinates of phase:   2
 generate coordinates   864
 input data set no.   1  from zro2_xrd.dat                   
 calculate maximum chisq   378347.  1
 input spectrum no.   1  from zro2_exafs.dat                 
 calculate maximum chisq   830.908  1
 phase number   1
 number of partial pair distribution functions (pPDFs):   2
 phase number   2
 number of partial pair distribution functions (pPDFs):   2
 # of pPDFs to compute (diffraction):   6
 output initial pdf
 calculate initial chisq of diffr. data set   1  :   5450.32
 initial R[%](   1  )   9.54414
  
 INPUT THEORETICAL DATA (FEFF): 
 exafs kernels
 calculate initial spectrum
 calculate initial chisq   2.131382E+06
 output initial spectra
  
 START RMC CYCLES
  
 STOP AFTER   200  RMC CYCLES
