[sdpd] Help on ITO input file

["XIA Changtai" <cxia...@cec.uchile.cl>]

Hi, Dear Friends,
 
I'm trying to use ITO for indexing. I'm having problem in input file. Thank you for helping me out!
 
My input file was:
CPD-Y2O3.DAT
9009 1 1 1             1.540598                         4.0
0.000
          20.516
          29.165
          33.800
          35.919
          37.928
          39.861
          43.503
          46.911
          48.549
          50.147
          53.227
          54.731
          56.192
          57.638
          59.058
          60.461
          61.839
          63.207
          64.554
          65.882
          69.802
          71.089
          72.362
          73.625
          74.890
          76.129
          77.375
          78.608
          81.070
          83.517
          84.731
          87.159
          89.575
          90.785
          91.995
          93.214
          95.627
          98.062
          99.295
         101.755
0.00
END

 
The result I got for Q-value was:
THE INPUT LEADS TO THE FOLLOWING Q-VALUES   
     4.0        534.5       1068.3       1424.2       1602.4       1779.8       1958.3       2314.5       2670.1       2848.4    
  3026.7       3382.1       3561.0       3738.0       3916.2       4093.9       4272.2       4449.7       4628.2       4806.1    
  4983.4       5517.2       5695.6       5873.4       6051.0       6230.1       6406.5       6584.9       6762.2       7118.6    
  7475.2       7652.8       8009.0       8364.2       8542.1       8720.0       8899.1       9252.9       9608.5       9787.7    
 
OBS. It seems that a d=50 datum has been impose on my data. But I cannot eliminate the problem. Could you help me out?
 
Thank you!
 
Sincerely Yours,
 
XIA Changtai
Universidad de Chile
Departamento de Fisica
Av. Blanco Encalada 2008
Casilla 487-3
Santiago-CHILE
cxia...@cec.uchile.cl