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Elastic constants calculation - WIEN 2k

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Prediction VOIGT Shear modulus by using elastic constant values = 35.720 (GPa)Prediction REUSS Shear modulus by using elastic constant values = 32.517 (GPa)Prediction HILL Shear modulus by using elastic constant values = 34.118 (GPa)Prediction VOIGT Young modulus by using elastic constant values = 97.736 (GPa)Prediction REUSS Young modulus by using elastic constant values = 89.669 (GPa)Prediction HILL Young modulus by using elastic constant values = 93.716 (GPa)Prediction VOIGT Poisson's coefficient by using elastic constant values = .368Prediction REUSS Poisson's coefficient by using elastic constant values = .378Prediction HILL Poisson's coefficient by using elastic constant values = .373=======================================================================You can find these data in the output-order file.C11 = 182 GPaC12 = 73 GPaC13 = 69 GPaC33 = 188 GPaC55 = 44 GPaOur <strong>calculation</strong> Other(TB) 6 Exp 6C11 182 171 160C12 73 58 90C13 69 46 60C33 188 203 181C55 44 64 4722

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