How to create a 4H SiC structure?

Dear All,

I am a new user for LAMMPS. I would like to create a 4H SiC structure based on the diamond structure.

The figure in this ppt can be as an example.

The shown chemical bonds on the Si and C atoms are wrong by using ovito.

I feel something wrong in my lattice and create_atoms commands.

But, I have no idea to revise it.

Maybe it should be created by diamond command.

Anybody can help me?

Thank you very much.

Best Regards,

Ryan

林忠豪 Ryan Lin

機械資深工程師 Mechanical Senior Engineer

董事長暨總經理室 Chairman & President Office (CPO)

漢民科技股份有限公司 Hermes-Epitek Corp.

30077 新竹市研新一路18號

No. 18, Creation Rd. 1, Hsinchu city, R.O.C.

Tel:+886-3-5797711 ext.6885

Cell phone:0937312156

Fax:+886-3-6686334

***************** Email Confidentiality Notice *****************

The information contained in this email and/or attachment(s) if any, are privileged and confidential. If you are not the intended recipient, you are hereby notified that any use, dissemination, distribution or copying of any part of the information contained in this email and/or attachment(s) is strictly PROHIBITED. If you have received this email in error, we hereby express our apology, and please notify us immediately by telephone, facsimile or email, and delete the email and attachment(s) if any. We greatly appreciate your cooperation.

SiCC.txt (1.72 KB)

4hsiccrystal.txt (1.8 KB)

4H SiC.ppt (805 KB)