Thank you for your reply! I recheck the file case.EIG and it seems there is only a part of eigenvalues for spin-up not like that writing in the scf output file with both spin-up and spin-down, so how to modify the code with incomplete input data. or something I misunderstand?
Best, On Sat, Jul 24, 2010 at 10:47 AM, Guangping Zhang <[email protected]> wrote: > Dear Bin Shao, > I think this release is not suiable for spin-polarization.You can ask for > Marcos,if I am not mistaken,he have a code for spin-polarization.Indeed you > can modify the code yourself. > > Cheer! > 2010-07-24 > ------------------------------ > Guangping Zhang > --------------------------------------------------------- > 定时提醒您处理邮件、高效办公不费心，请用网易闪电邮（fm.163.com）！ > ------------------------------ > 发件人: Bin Shao <[email protected]> > 发送时间: 2010-07-24 09:47 > 主 题: [SIESTA-L] How to obtain DOS from EIG of a spin polarization system > 收件人: siesta-l <[email protected]> > > > Dear all, > > I did a calculation of a spin polarization system, and how to obtain the > DOS from the file case.EIG by using eig2dos.x. I can do that of a non-spin > polarization system, or how can I obtain the DOS of spin-down? > > Any suggestion will be appreciated. Thank you in advance! > > Best, > > -- > Bin Shao > College of Information Technical Science, Nankai University > 94 Weijin Rd. Nankai Dist. Tianjin 300071, China > Email: [email protected] > -- Bin Shao College of Information Technical Science, Nankai University 94 Weijin Rd. Nankai Dist. Tianjin 300071, China Email: [email protected]
