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Author Topic: Elatic constant  (Read 2905 times)

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Offline arpit

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Elatic constant
« on: February 28, 2011, 11:13 »
Dear sir,
Can we calculate the elastic constant using ATK-10.8.
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Offline zh

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Re: Elatic constant
« Reply #1 on: February 28, 2011, 11:23 »
The elastic constant of a crystal can be calculated the derivative of the energy as a function of lattice strain. There are too many applications of such procedure to calculate the elastic constant, e.g., Solid State Communications, 143,425, (2007).  The same procedure can be applied in ATK-10.8 to calculate the elastic constant.
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Offline arpit

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Re: Elatic constant
« Reply #2 on: March 1, 2011, 10:01 »
thank you sir :)
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Offline arpit

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Re: Elatic constant
« Reply #3 on: March 3, 2011, 10:40 »
sorry sir
i don't find any useful data or information in the paper suggested by you.
if you have any other information then please inform me.
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Offline Anders Blom

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Re: Elatic constant
« Reply #4 on: March 3, 2011, 11:06 »
Googling "calculate elastic constant dft" gives a lot of information.
See e.g. PRB 81, 104106 (2010)
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