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
