[PDXL说明书]ito13 -指标化软件使用说明.pdfVIP

[PDXL说明书]ito13 -指标化软件使用说明.pdf

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ito13 THIS FILE BELONGS TO THE ITO PACKAGE *** Instruction manual *** Version 13 In case of problems, write or call J. W. Visser, Technisch Physische Dienst, P.O.Box 155, Delft, Netherlands. Phone 015 - 787004, (788020) / 40 or G.G.JJohnson jr., Materials Research Lab., Penn. State University, University Park, Penn. 16802, 814-865-1637/40 or R.Shirley, Chemical Physics Dept., Univ. of Surrey, Guildford, Surrey GU2 5XH, England. Phone 0483-71281 x449/427 This program tries to find the unit cell from the powder pattern. The principles are described in a paper by Visser in the Journal of Applied Crystallography (1969) 2, 89. Most of the calculations are carried out in terms of Q-values, these are (100/d)**2 ,where d is the interplanar distance in Angstroms. All values in the program are expressed in Qu (Q-units), unless indicated otherwise. The input of the program is on unit 15, the regular output is on unit 16. The card-images of the input cards are printed on unit 14. *** A summary of the output (suitable for CRT-terminals, lines 71 characters) is printed on unit 66 these i/o units can be changed in the main program. The usual input of this program should consist of 1. A title card, containing up to 80 characters. 2. A parameter card, which may be completely blank. 3. Another parameter card. Can also be blank. 4. A number of lines cards. The optimum number of lines to be entered is somewhere between 30 and 35. The absolute minimum is 20. There is no maximum, but the program will use only the first 40 lines Note** If you actually use cards, they may be left blank. However, in some computer systems one cannot generate an input file with completely blank lines, they disappear without a trace. In that case, it is better to enter a zero in the first column of the seco

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