[RMCProfile-users] Calculating Xray Gr

[Yuanpeng Zhang]

Hi,

The file you mentioned is the Fourier transform of the X-ray F(Q) data you provided as the input for RMCProfile. RMCProfile internally does the Fourier transform (for both the data and model) for us.

If you still have problems with this, please feel free to share your inputs so I can have a look.

Cheers,
yuanpeng

On 5/13/20, 11:11 AM, "rmcprofile-users on behalf of Thapa, Rajendra" <rmcprofile-users-bounces at shadow.nd.rl.ac.uk on behalf of rt887917 at ohio.edu> wrote:

    Hi all,
    I have a set of X-ray FQ information for my amorphous system I am working with. When I run RMCProfile, I see *_FT_XFQ1.csv output printed. Can anybody help me see how that quantity is calculated?


    Thanks,
    Rajendra Thapa.
    Ohio University, Athens, OH.
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