[Pw_forum] 3D electron bands structure

[pourya ir]

Dear All

Hi,

I would like to know that is it possible to calculate the whole BZ electron
dispersion relation by QE according to following?
I will deeply appreciate you if answer my question.

Best Regard,

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 &CONTROL
       calculation = 'bands',
      restart_mode = 'from_scratch',
        pseudo_dir = './pseudo/',
            outdir = './tmp/',
            prefix = 'slg',

 /
 &SYSTEM
             ibrav = 4,
                 a = 2.439,
                 c = 10
               nat = 2,
              ntyp = 1,
           ecutwfc = 40,
              nosym=.TRUE.
              noinv=.TRUE.


 /
 &ELECTRONS

 /
ATOMIC_SPECIES
C 12.0107 C.pz-rrkjus.UPF
ATOMIC_POSITIONS {crystal}
C  0.333333333  0.666666666  0.500000000
C  0.666666666  0.333333333  0.500000000
K_POINTS {automatic}
  42 42 1   0 0 0

~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

Pourya Ayria
Pouryaayria at gmail.com
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