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Lattice basis

  1. Apr 29, 2015 #1
    Dear Friends,

    I'm trying to bulid a non-ideal hcp lattice in order to use in MD simualtion. I have12 lattice basis. but 2 of them are negative values. Can anyone tell me how I can convert the negative values to positive?

    0.66667 0.33333 -0.0416
    0.66667 0.33333 -0.1668
     
  2. jcsd
  3. May 4, 2015 #2
    Thanks for the post! This is an automated courtesy bump. Sorry you aren't generating responses at the moment. Do you have any further information, come to any new conclusions or is it possible to reword the post?
     
  4. May 5, 2015 #3

    DrDu

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    Science Advisor

    I think you could add a z-lattice vector, i.e. take 1-0.0416 instead of -0.0416.
     
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