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[lammps-users] Regarding examples/user/diffraction results for XRD Ni and my result
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[lammps-users] Regarding examples/user/diffraction results for XRD Ni and my result


From: Anil Mangla <anildcet@...24...>
Date: Fri, 7 Jul 2017 19:04:08 +0530

Respected All,

I used the input script file given in example/user/diffraction directory to carry out xrd for pure Ni.

I ran it and compared the result 'bulkNi.hist.xrd'  with the result given by author in file 'bulkNi.hist.xrd.correct'.

They don't match at all. 
I am attaching the result file and graphs. 

Please help me in fixing this error. 

--
Regards
Anil Mangla
PhD. Scholar (Statistical Thermodynamics)
CHE,I.I.T.  Kanpur, India
8090162821

Attachment: bulkNi.hist.xrd
Description: Binary data

Attachment: xrd_Ni_compararison.ogg
Description: audio/ogg