Re: [SIESTA-L] Band Structure

2014-02-21 Thread Mostafa Shabani
WriteBands T On Thu, Feb 20, 2014 at 8:18 PM, Suman Chowdhury wrote: > Dear all, > To plot the band structure which is to be set true, WriteBands or > WriteKBands or both. > > -- > > > > *Junior research fellow Dept. of Physics, University of Calcutta Kolkata- > 79, W

Re: [SIESTA-L] Band Structure

2014-02-21 Thread Mostafa Shabani
BandLinesScaleReciprocalLatticeVectors %block BandLines 1 0.0 0.00 0.00 \Gamma 100 0.0 0.00 1.00 z %endblock BandLines you have to determine band line in high symmetry for your structure in reciprocal space too On Fri, Feb 21, 2014 at 3:51 PM, Mostafa S

Re: [SIESTA-L] Band Structure

2014-02-21 Thread Suman Chowdhury
I am not getting a band crossing for graphene if the put the line "BandLinesScale ReciprocalLatticeVectors".Without it I am getting the band crossing. On Fri, Feb 21, 2014 at 5:53 PM, Mostafa Shabani < mostafa.nanophys...@gmail.com> wrote: > BandLinesScaleReciprocalLatticeVectors > > %blo