[RMCProfile-users] The structure after RMC simulation

[朱敏]

Hi Martin, 


         Of course! 


         The starting files have been attached. 


        Thanks, 
        Min Zhu

> -----原始邮件-----
> 发件人: "Martin Dove" <martin.dove at qmul.ac.uk>
> 发送时间: 2015年6月2日 星期二
> 收件人: "rmcprofile-users at rmcprofile.org" <rmcprofile-users at rmcprofile.org>
> 抄送: 
> 主题: Re: [RMCProfile-users] The structure after RMC simulation
> 
> Hi
> 
> I am the author of data2config. Can you please send me your starting file?
> 
> Thanks
> 
> Martin
> 
> 
> > On 28 May 2015, at 10:49, 朱敏 <minzhu at mail.sim.ac.cn> wrote:
> > 
> > Hello everyone, 
> > 
> >           I used the "data2config" command to get a rmc6f file, which then was applied to RMC simulation. The command is as follow:
> > 
> >           "data2config -noannotate -rmc6f -order [Ge Sb Te] -surpercell [3 3 3] GST_0K.cfg"
> > 
> >          However, after the RMC simulation, I obtained a very strange structure (as shown in the below figure).  From the figure, we can see that the structure is consist of 3X3X3 separated unit cells. 
> > 
> >          Do anyone encounter this type of problem? How to solve it?
> > 
> >          Thank you very much!
> > 
> >          Best wishes, 
> >          Min Zhu
> > <QQ图片20150528174240.png>
> > 
> >       
> > 
> >          
> > 
> > 
> > 
> > 
> > 
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> > http://lists.rmcprofile.org/mailman/listinfo/rmcprofile-users
> 
> 
> 
> –––––––––––––––––––––––––––––––––––––––––––––––––––––––––
> Martin Dove
> School of Physics and Astronomy, and Materials Research Institute
> Queen Mary University of London
> Mile End Road, London E1 4NS
> Tel. 020 7882 3426
> 
> 
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