I am sorry for my question. But there are some thing to be mentioned. In the course of calculating the BN graphitic sheet, I design some structures but the result is very strange. The pure BN graphitic sheet behaves magnetic moment. So I think the structure may be wrong. I want to know the lattice parameters and test the results. Howere, I solve this problem by reading some papers now. In the begining I think the forum is free for any questions. As a beginner, We maybe only put some poor quality questions. In fact, not all the difficult and high quality questions are able to be sloved by Dr. Wu. I think so. Don't you think so? I think the puzzled question which may be simple to you is valueble to issue in the forum. Finally, I feel woeful and vague to Dr. Wu's suggestions.
----- Original Message ----- From: Wu Rongqin To: SIESTA-L@listserv.uam.es Sent: Sunday, September 03, 2006 10:24 AM Subject: [SIESTA-L] A suggestion to all chinese users Dear all, I, a Chinese PhD doing first principles calculation and a user of Siesta (I have a publication using Siesta), am very glad that in recent years so many Chinese students are devoted to first principle calculation. I ａｍ ａｌｓｏ ｇｌａｄ ｔｈａｔ Ｓｉｅｓｔａ ｉｓ ｆａｖｏｒｅｄ ｂｙ ｔｈｅｍ （ｏｎｅ ｃａｎ ｓｅｅ ｔｈｉｓ ｆｒｏｍ ｑｕｅｓｔｉｏｎｓ ｒｉｓｅｄ ｉｎ ｔｈｅ ｆｏｒｕｍ）． Ｍａｎｙ ｏｆ ｔｈｅｍ ｆｅｅｌ ｑｕｉｔｅ ｆｒｅｅ ｔｏ ｄｉｓｃｕｓｓ ｐｒｏｂｌｅｍｓ ｉｎ ｔｈｉｓ ｆｏｒｕｍ， ｔｈｉｓ ｉｓ ａ ｇｏｏｄ ｎｅｗｓ． ＨＯＷＥＶＥＲ， Ｉ ＷＡＮＴ ＧＩＶＥ ＡＬＬ ＣＨＩＮＥＳＥ ＵＳＥＲＳ ＯＦ ＳＩＥＳＴＡ． ＷＨＥＮ ＹＯＵ ＷＡＮＴ ＴＯ ＰＡＳＴＥ ＹＯＵＲ ＰＲＯＢＬＥＭＳ ＴＯ ＴＨＥ ＦＯＲＵＭ， ＰＬＥＡＳＥ ＧＩＶＥ ＹＯＵＲ ＰＲＯＢＬＥＭＳ Ａ ＳＥＣＯＮＤ ＴＨＯＵＧＨＴ！ ＡＣＴＵＡＬＬＹ ＹＯＵ ＭＩＧＨＴ ＦＩＮＤ ＴＨＡＴ ＹＯＵ ＹＯＵＲＳＥＬＦ ＣＡＮ ＳＯＬＶＥ ＹＯＵＲ ＰＲＯＢＬＥＭＳ ＡＮＤ ＴＨＵＳ ＴＨＥＲＥ ＩＳ ＮＯ ＮＥＥＤ ＴＯ ＰＵＴ ＹＯＵＲ ＱＵＥＳＴＩＯＮＳ ＴＯ ＴＨＩＳ ＦＯＲＵＭ． ＱＵＥＳＴＩＯＮＳ ＡＲＥ ＷＥＬＣＯＭＥ ＢＵＴ ＷＨＡＴ ＡＮ ＥＶＡＬＵＡＴＩＯＮ ＯＴＨＥＲＳ ＷＩＬＬ ＧＩＶＥ ＹＯＵ ＩＦ ＹＯＵＲ ＱＵＥＳＴＩＯＮＳ ＣＯＭＥ ＵＰ ＷＩＴＨ ＰＯＯＲ ＱＵＡＬＩＴＹ？ ＨＯＷ ＷＥＳＴＥＲＮ ＰＥＯＰＬＥ ＷＩＬＬ ＥＶＡＬＵＴＥ ＣＨＩＮＩＳＥ ＳＴＵＤＥＮＴ？ ＪＵＳＴ ＴＨＩＮＫ ＯＦ ＴＨＩＳ． -----Original Message----- From: Siesta, Self-Consistent DFT LCAO program, http://www.uam.es/siesta [mailto:[EMAIL PROTECTED] On Behalf Of Mingsu Si Sent: Sunday, September 03, 2006 9:51 AM To: SIESTA-L@listserv.uam.es Subject: [SIESTA-L] about graphitic BN nanotube Dear all, How to write the lattice parameters of graphitic BN nanotube?
