[RMCProfile-users] Using RMCProfile For X-ray Data of Amorphous Materials

Mostafa Saad mostafa4phy at gmail.com
Mon Jul 7 09:36:57 BST 2014

Dear all,

I am working on amorphous materials and I have do high energy X-ray
diffraction (Qmax=25 Ang) to my samples, now I try to use RMCProfile to
model the structure of my samples.

*First* I follow the manual and tutorial but I face some problems like:

1-    -The manual doesn’t mention how can create an *initial configuration*
of amorphous materials.

2-   -The manual doesn’t mention how I can fit *XRAY_REAL_SPACE_DATA*.

3-    - Is the program calculated the x-ray *partial structure coefficients*
like for neutron.

4-    -I use *PDFgetx3 *for calculating F(q) and G(r),are these data need
to rescaled and convolved.

5-    -When I use *rmc326* for converting the old *.*dat* file to *version
6* it give me error that “'rmc326' is not recognized as a operable program
or batch file.”

6-    -how can I get atomeye file from rmc configuration file(cfg) in
general because in the tutorial you use *get_atomeye_sf6 and it if for this
example only.*

Thank you in advance

mostafa saad
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