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Hi, First thank you for reading my post. I have calculated the isothermal elastic constant by using QHA. Now I want to get the adiabatic elastic constants.I know the conversion factor but...
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I am working on 28 atom system. I need a primitive cell with 7 atoms. How should I get a primitive cell or primitive lattice vectors for this structure? I have the .cif file. Is there any way to...
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I want to calculate the piezoelectric tensor of a material. Is there any possible ways to calculate it through Quantum Espresso? Any suggestion is welcome.Thanks in advance.
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