[Pw_forum] How to extract high symmetry kpoints from SCF calculation

[Giuseppe Mattioli]

Dear Olayinka
You cannot directly extract a band structure from a scf calculation. You should already know the k-
point path  connecting high-symmetry points (paths for cubic and hexagonal systems can be found 
here: http://cst-www.nrl.navy.mil/bind/kpts/index.html), and perform a non-self-consistent 
calculation to produce a band structure, as shown in yourQE/examples/example01.
HTH

Giuseppe

On Thursday 29 March 2012 07:26:56 Olayinka, Samson A. wrote:
> I need to extract kpoints from my scf calculation in order to get the
> K_POINTS for my bands calculation.
> 
> 
> Olayinka Samson
> Ph.D student
> University of Benin,Edo State, nigeria
> solayinka at biu.edu.ng
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   Giuseppe Mattioli                            
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