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Orientation of a group in a crystal
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Topic: Orientation of a group in a crystal (Read 3158 times)
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Inaoton
QuantumATK Guru
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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 ABO
3
.
1. How can i find it out?
2. How can i make A to orient in a particular direction while building ABO
3
?
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Petr Khomyakov
QuantumATK Staff
Supreme QuantumATK Wizard
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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
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Orientation of a group in a crystal