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[lammps-users] abnormal value of elastic constant
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[lammps-users] abnormal value of elastic constant


From: maryam akbari <maryam68akbari@...24...>
Date: Fri, 29 Sep 2017 11:17:18 -0500

Dear all and lammps-users,
I am trying to calculate elastic constant of Ti and I am using the Lammps-example in,elastic file . I got abnormal values for C66, C44 which is more than 50% error of the experimental values. I dont know where I made mistake. I am exactly using Adian's example of elastic constant. 
Any help will be appreciated.
Maryam