[Pw_forum] spin-polarized band structure calculation

[Paolo Giannozzi]

On Monday 20 December 2004 13:05, B.T. Hope wrote:

> I am attempting a band-structure calculation for a Cobalt chain.
> I want it to be spin-polarized. [...]
> The output gives me twice amount of data as you would expect
> but rather than two sets of identical k-points with different sets
> of corresponding energies, the extra set of k-points just continues 
> from the first set. [...]
> Can anyone help / explain?

notice the two lines in the output:

 ------ SPIN UP ------------

 ------ SPIN DOWN ----------

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy