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/
