Author Topic: Orientation of a group in a crystal  (Read 1883 times)

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Offline Inaoton

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Orientation of a group in a crystal
« on: February 19, 2018, 12:33 »
Hello
          I want to know the orientation of a group in a particular compound. e.g. orientation of A in ABO3.
          1.  How can i find it out?
          2.  How can i make A to orient in a particular direction while building ABO3?

Offline Petr Khomyakov

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Re: Orientation of a group in a crystal
« Reply #1 on: February 19, 2018, 15:55 »
It might be helpful to go through this manual https://docs.quantumwise.com/tutorials/builder_manual/builder_movetool/builder_movetool.html. Some of the other Builder plugins (Rotate, Mirror an so on) might be useful for this purpose as well, see https://docs.quantumwise.com/tutorials/builder_manual/builder_plugins/builder_plugins.html