Dear all, 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. Kindly help.
ORDER OF FIT IS : 4 , At volume = 2365.41197 (bohr^3) ######## (c11-c12) = 175.946 (GPa) (c11+2c12) = -0.091 (GPa) (c44) = 1.175 (GPa) ________________________________________ (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error (standard_in) 1: syntax error c11 = 117.267 (GPa) c12 = -58.679 (GPa) c44 = 1.175 (GPa) ======================================================================= Prediction VOIGT Bulk modulus by using elastic constant values = -.030 (GPa) Prediction REUSS Bulk modulus by using elastic constant values = (GPa) Prediction HILL Bulk modulus by using elastic constant values = (GPa) Prediction VOIGT Shear modulus by using elastic constant values = 35.894 (GPa) Prediction REUSS Shear modulus by using elastic constant values = (GPa) Prediction HILL Shear modulus by using elastic constant values = (GPa) Prediction VOIGT Young modulus by using elastic constant values = -.270 (GPa) Prediction REUSS Young modulus by using elastic constant values = (GPa) Prediction HILL Young modulus by using elastic constant values = (GPa) Prediction VOIGT Poisson's coefficient by using elastic constant values = -1.003 Prediction REUSS Poisson's coefficient by using elastic constant values = Prediction HILL Poisson's coefficient by using elastic constant values = You can find these data in the output-order file. Thanks and Regards.
output-order
Description: output-order
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