|From:||"Khourshaei Shar, Ali" <akhoursh@...6666...>|
|Date:||Mon, 21 May 2018 17:55:28 +0000|
Dear LAMMPS users,
For my ceramic system, when I calculate Elastic constants using the proposed code in 0 temperature in LAMMPS examples, I find that all of the elastic components except
C33 are in good agreement with Experimental data. Any probable explanation for it please? For a better understanding, C33 should be 500GPa. But I obtained it as 2345GPa !!!