Nguyen, Ngoc Ha
Hanoi National University of Education
Faculty of Chemistry
Department of Physical Chemistry
Tel: Office: 04/8330842
Home: 04/7891674
Mobile: 0989133436
--- On Mon, 1/26/09, Ian Shuttleworth wrote:
From: Ian Shuttleworth
Subject: [SIESTA-L] PDOS
To: SIESTA-L@listserv.uam.es
Da
Hi Ricardo,
thanks for your help.
Juliana Morbec
De: Ricardo Faccio
Para: SIESTA-L@listserv.uam.es
Enviadas: Domingo, 25 de Janeiro de 2009 15:55:12
Assunto: Re: [SIESTA-L] Res: [SIESTA-L] Spin-polarized band structure
Dear juliana
One thing is: perform a
Dear juliana
One thing is: perform a spin-polarized calculation and another thing
is: obtain a band stricture for particular path across brillouin zone.
For the first case is necesarily the SpinPolarized flag, as you
mentioned. But in order to obtain the band structure you need to set
anot
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
Para: SIESTA-L@listserv.uam.
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
To: siest...@listserv.uam..es
Sent: Sunday, January 25, 2009 2:13:09 A
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