Dear Users I am using WINE2K 11 version and computing elastic constants for Fe.
The computed elastic constants are c11 = 304.760951 c12 = 118.317319 c44 = 367.255487 I want to compare these values with C11 = 297.83 GPa, C12 = 141.89 GPa, C144 = 106.73 GPa Please suggest the possible solution. I have used 3000 as well as 5000 k-points. In all kinds of calculation, the potential WC.GGA is used. Also I used the structure (attached here with) downloaded from COD crystallography site. True Regards Dr. Sajjad
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