[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