[Pw_forum] Band Character
Lorenzo Paulatto
paulatto at sissa.it
Tue Aug 18 17:45:48 CEST 2009
In data 18 agosto 2009 alle ore 17:18:25, Sumanta Bhandary
<sumanta.bhandary at fysik.uu.se> ha scritto:
> Dear Users,
> Is it possible to know the character of each band (i.e
> which orbital & atom is contributing ) from band structure calculation ?
Dear Sumanta,
you can have this sort of information studying the density of states
projected on atomic orbitals.
Please see the example08 and the input description
(Doc/INPUT_PROJWFC.html) for further details.
best regards
--
Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www: http://people.sissa.it/~paulatto/
*** save italian brains ***
http://saveitalianbrains.wordpress.com/
More information about the users
mailing list