[RMCProfile-users] The structure after RMC simulation

朱敏 minzhu at mail.sim.ac.cn
Thu May 28 10:49:49 BST 2015

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



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