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Re: [lammps-users] One question for SiC.vashishta ! Thank you !
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Re: [lammps-users] One question for SiC.vashishta ! Thank you !

From: Ray Shan <rshan@...1795...>
Date: Thu, 24 Aug 2017 17:08:43 +0000

You should ask the author who contributed the SiC.vashishta file.


On 8/23/17, 8:01 PM, "过云雨" <869488901@...1204...> wrote:

Dear Lammps users:
     I have one question about SiC.vashishta in Lammps. The parameter D in the file SiC.vashishta is different from the D in the paper《 P. Vashishta, R. K. Kalia, A. Nakano, and J. P. Rino. J. Appl. Phys. 101, 103515 (2007).》
     How to translate the D(Si-Si) of 2.1636(e^2*A^3) to 15.575(eV*A^4)?  I also notice that the units of them are different, but I don't know how to translate.Maybe these pictures could help you to understand my question.
     Best regards!

                                                                                                                                                                                                  Yours sincerely,
                                                                                                                                                                                                   Ni Chengming