How can I generate powder XRD pattern by simulating Single crystal xray data ?
You can use Diamond3 or Mercury programs, both of them use cif files to generate powder XRD
Depends on what you want to do. Profex/BGMN is also capable of reading cif-files. Powdercell may help as well
http://www.ccp14.ac.uk/ccp/web-mirrors/powdcell/a_v/v_1/powder/e_cell.html
You can use also VESTA. It's a free program for structure visualization and editing.
you can use Diamond 3 to generate a simulated XRD patern using the cif file
Open the .CIF file in Mercury Software, then click the Calculate tab and go to the powder pattern.
Dear Saurodeep
If you didn’t solve it yet, I recommend you to use VESTA software. It is a free software.
If you want the steps to generate the XRD pattern, it is as follow:
Utilities ® Powder diffraction pattern ® then click on conditions ®
you can change the No “FE” to single if you want, of course it depends on your approach.
Then click on “calculate”
After the software finish its calculation, click on “plot”, to see its XRD pattern.
If you want to look the value of different items at each peak, you can click on “reflection” then you will get a table and you can get important items like: hkl, M(multiplicity) and others at the respective degree (2 theta).
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