[Wien] a question about calculating elastic constants!

[shxincui@yahoo.com]

Dear wien users,
I am interested in calculating elastic constants. When done using wien2k, I have got the negative value of C11 and C44. For cubic crystals, the negative C11 and C44 indictates that this structure for crystal is not stable. I did not know how to solve them. In addition, there are no errors in the calculating. I have calculated the elastic constants for MgO, and everything is ok!
Cui


      
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