Hi Roberto, thanks for your help. But, can I obtain spin-polarized band structure just using
SpinPolarized True in file.fdf or I have to use another flags? Thanks in advance, Juliana Morbec ________________________________ De: Roberto Veiga <roberto.ve...@ymail.com> Para: SIESTA-L@listserv.uam.es Enviadas: Domingo, 25 de Janeiro de 2009 8:57:04 Assunto: Re: [SIESTA-L] Spin-polarized band structure Hi, Juliana, you can find attached a slightly modified version of the program gnubands. It generates two files, bands-up.dat and bands-down.dat. Best regards, Roberto ________________________________ From: Juliana Morbec <jmor...@yahoo.com.br> To: SIESTA-L@listserv.uam.es Sent: Sunday, January 25, 2009 2:13:09 AM Subject: [SIESTA-L] Spin-polarized band structure Dear SIESTA users. I need to do the spin-polarized band structure of a material. Please, how could I obtain bands of spin-up channel? I guess that I have to use FixSpin True TotalSpin 0.5 but I don't know if this is correct. And if I want to obtain bands of spin-down channel? Regards, Juliana Morbec ________________________________ Veja quais são os assuntos do momento no Yahoo! + Buscados: Top 10 - Celebridades - Música - Esportes Veja quais são os assuntos do momento no Yahoo! +Buscados http://br.maisbuscados.yahoo.com