[RMCProfile-users] Using Potentials

[朱敏]

Hello, everyone!


          From the example of using potentials, I know that I can use the potentials in RMC simulations:


          POTENTIALS ::
          > STRETCH :: P O 8.86 eV 1.52 Ang
          > STRETCH_SEARCH :: 10%
          > ANGLE :: P O O 20.0 eV 109.471 deg 1.45 1.45 Ang 


          But I don't know how to find the bond stretching potential of new bonds. For example, I focus on Ge-Sb-Te alloy, so I need to know the potentials of Ge-Ge, Ge-Sb, Ge-Te, et al. I can find some potentials in published papers, but not all. Do you have another essential way to get the data?


           Thank you!


           Min Zhu
           From Shanghai Institute of Micro-System and Information Technology, China 


          
          


          
       





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