************************************************************************** ************************************************************************** *************** ******************* *************** Documentation for ITO ******************* *************** ******************* ************************************************************************** ************************************************************************** PROGRAM AUTHOR - J. W. Visser. TO RUN ITO : Simply type "ito", and the file "ito.inp", generated automatically by the interactive indexing setup program INDEXINP, will be used by default as input file, and "itosum.lst" and "itout.lst" will be used by default as output files. In practice, it is best to first of all generate an input file with a name descriptive of the sample, and then to copy this file to "ito.inp", for use in ITO. An example input data file "ito.inp" is available in the CCP14 anonymous FTP directory "doc/ito". See the following original documentation for full details ... The program tries to find the unit cell from the powder pattern. The fastest way of knowing what parameters are available and how to use them is to change the second line of the input example. It now reads: 9 blank etc., if you change that into 11 blank etc. the program will give a lot of instructions on the output file itout.lst (132 char/line). The first lines of the input are then: NAME= K2 MN2 (S O4)3 ,CUBIC, etc. ......... 11 0 twothetas.......... etc. APOLOGY: The output of this program uses the (standard) Fortran carriage control characters. Many printers for a PC do not understand these. I will try to rewrite the output. EXTENSION: Jan 6 1988. When used in the way as sketched above, the computer will work quite some time (3-8 minutes on my PACO, an IBM-AT clone with a 80286 processor and a Hauppauge 287FaST10 mathematical coprocessor, running at 8 resp 10 MHz) without showing what is going on. ***********************************************************************