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Dear all,</div>
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While running C_ana_elast_lapw for my compound, I am getting following error given below in order of fit 4. Result for order 2 and 3 is being shown properly. Output order file has been attached.<br>
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Kindly help.<br>
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ORDER OF FIT IS : 4 , At volume = 2365.41197 (bohr^3) ########
<div>(c11-c12) = 175.946 (GPa)</div>
<div>(c11+2c12) = -0.091 (GPa)</div>
<div>(c44) = 1.175 (GPa)</div>
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<div>(standard_in) 1: syntax error</div>
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<div>c11 = 117.267 (GPa)</div>
<div>c12 = -58.679 (GPa)</div>
<div>c44 = 1.175 (GPa)</div>
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<div>Prediction VOIGT Bulk modulus by using elastic constant values = -.030 (GPa)</div>
<div>Prediction REUSS Bulk modulus by using elastic constant values = (GPa)</div>
<div>Prediction HILL Bulk modulus by using elastic constant values = (GPa)</div>
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<div>Prediction VOIGT Shear modulus by using elastic constant values = 35.894 (GPa)</div>
<div>Prediction REUSS Shear modulus by using elastic constant values = (GPa)</div>
<div>Prediction HILL Shear modulus by using elastic constant values = (GPa)</div>
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<div>Prediction VOIGT Young modulus by using elastic constant values = -.270 (GPa)</div>
<div>Prediction REUSS Young modulus by using elastic constant values = (GPa)</div>
<div>Prediction HILL Young modulus by using elastic constant values = (GPa)</div>
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<div>Prediction VOIGT Poisson's coefficient by using elastic constant values = -1.003
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<div>Prediction REUSS Poisson's coefficient by using elastic constant values = </div>
<div>Prediction HILL Poisson's coefficient by using elastic constant values = <br>
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<div>You can find these data in the output-order file.<br>
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<div>Thanks and Regards.<br>
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