[RMCProfile-users] Question about using RMCprofile to fit XPDF

[Yuanpeng Zhang]

Hi Hui,

Could you please send us the whole folder in which you ran RMCProfile with
the XPDF data so we can check what the problem is?

Here is my working email: zhangy3 at ornl.gov

Cheers,
yuanpeng

On Sat, Apr 14, 2018 at 11:43 PM, liuhui <liuhuichina at foxmail.com> wrote:

> Dear all,
>
>
> I am using Rmcprofile to fit my xPDF data. It has generated about 260000
> moves, but I looked the box of supercell, there is only a few changes in
> the box. Besides, after lagre number moves there is no better fitting of
> the data. I do not know why?  The attachment is the fitting result and
> required data.
>
>
> Best,
>
>
> Hui
> ------------------
>   *****************************************
>  Hui Liu
>
>  Department of Physical Chemistry
> University of Science and Technology Beijing
> Beijing 100083, China
>  *****************************************
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-- 


-- 

Mr Yuanpeng Zhang
PhD Student in Condensed Matter Physics
Room 217, G. O. Jones Building,
Queen Mary, University of London
Tel: 074 5401 8668
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