ABINIT Discussion Forums

Hello to all,
I want to calculate temperature dependent elastic constants.
Is any tutorial available for it in abinit. or any way to find it.

can anyone help me


thanks in advance


Ashish

This is not a standard abinit calculation. I believe you would have to develop models of your system at each temperature, say by using various ionmov options to do AIMD at finite temperatures and then examine the properties of a a series of snapshot models at each temperature. This would still be an approximation but would be at least in the right direction.