Dear Scott and Teng Thank you for your help. Teng, can you share the input files with us. Mic
--- On Tue, 10/16/12, Teng Yang <[email protected]> wrote: From: Teng Yang <[email protected]> Subject: Re: Re: [SIESTA-L] Elastic Constant To: [email protected] Date: Tuesday, October 16, 2012, 8:44 PM Hi, Michael, This is how we practise with diamond, you may do BCC-Fe similarly. Good luck! Teng Yang =========================================== Teng Yang, Ph.D. ------------------------------ Magnetism and Magnetic Materials Division Shenyang Materials Science National Laboratory Institute of Metal Research Chinese Academy of Sciences 72 Wenhua Road,Shenyang 110016, China +86-24-23971136 (office) +86-15998154791 (mobile) +86-24-23891320 (FAX) work: [email protected] http://www.synl.ac.cn/org/mag/english/staffs/yangteng/yangt.htm ================================================================ -----原始邮件----- 发件人: "Michael Shin" <[email protected]> 发送时间: 2012年10月17日 星期三 收件人: [email protected] 抄送: 主题: Re: [SIESTA-L] Elastic Constant Hi, Can you explain me how to calculate C11, C12 and C44 for a BCC Fe. Input files are welcome. Please,explain me step by step. Mic
