[QE-users] Regarding high symmetry K points

[Sai vishnu]

What are the chances for not getting high symmetric points for a
structure when is modelled by Burai.
I have modelled a Ga2O3 unit cell and from modeler when i project it along
the miller indices (100) I am not getting the K points .But along  the
planes like (010) (001) I am able to get the k-points. I have attached a
picture of this. Can anyone please help me with this.

This is the bands input file showing the k points as zero.
&CONTROL
    calculation = "bands"
    max_seconds =  8.64000e+04
    pseudo_dir  = "C:\Users\vishnu\.burai\.pseudopot"
/

&SYSTEM
    a           =  3.08297e+00
    b           =  5.87615e+00
    c           =  3.29345e+01
    cosab       =  6.12323e-17
    cosac       =  6.12323e-17
    cosbc       = -2.36567e-01
    degauss     =  1.00000e-02
    ecutrho     =  2.25000e+02
    ecutwfc     =  2.50000e+01
    ibrav       = 14
    nat         = 20
    nbnd        = 120
    ntyp        = 2
    occupations = "fixed"
    smearing    = "gaussian"
/

&ELECTRONS
    conv_thr         =  1.00000e-06
    electron_maxstep = 200
    mixing_beta      =  7.00000e-01
    startingpot      = "atomic"
    startingwfc      = "atomic+random"
/

&BANDS
    lsym           = .FALSE.
    spin_component = 1
/

K_POINTS {tpiba_b}
0

ATOMIC_SPECIES
O      15.99940  O.pbe-rrkjus.UPF
Ga     69.72300  Ga.pbe-n-van.UPF

ATOMIC_POSITIONS {angstrom}
O       1.541484  -3.849257  21.999681
Ga      0.000000  -3.897743  20.961888
Ga      1.541484  -0.871315  20.132741
O       0.000000   0.349057  20.071129
O       0.000000  -2.296858  19.948970
O       1.541484  -1.091119  18.100202
O       1.541484  -3.737034  17.978045
Ga      0.000000  -2.516662  17.916433
Ga      1.541484   0.509766  17.087285
O       0.000000   0.461281  16.049493  0 0 0
O       0.000000  -2.376338  15.950188  0 0 0
Ga      1.541484  -2.424824  14.912395  0 0 0
Ga      0.000000   0.601604  14.083248  0 0 0
O       1.541484   1.821976  14.021636  0 0 0
O       1.541484  -0.823939  13.899477  0 0 0
O       0.000000   0.381800  12.050709  0 0 0
O       0.000000  -2.264115  11.928552  0 0 0
Ga      1.541484  -1.043743  11.866940  0 0 0
Ga      0.000000   1.982685  11.037792  0 0 0
O       1.541484   1.934200  10.000000  0 0 0




and this my input file

&CONTROL
    calculation = "scf"
    max_seconds =  8.64000e+04
    pseudo_dir  = "C:\Users\vishnu\.burai\.pseudopot"
/

&SYSTEM
    a           =  3.08297e+00
    b           =  5.87615e+00
    c           =  3.29345e+01
    cosab       =  6.12323e-17
    cosac       =  6.12323e-17
    cosbc       = -2.36567e-01
    degauss     =  1.00000e-02
    ecutrho     =  2.25000e+02
    ecutwfc     =  2.50000e+01
    ibrav       = 14
    nat         = 20
    ntyp        = 2
    occupations = "fixed"
    smearing    = "gaussian"
/

&ELECTRONS
    conv_thr         =  1.00000e-06
    electron_maxstep = 200
    mixing_beta      =  7.00000e-01
    startingpot      = "atomic"
    startingwfc      = "atomic+random"
/

K_POINTS {automatic}
 4  2  1  0 0 0

ATOMIC_SPECIES
O      15.99940  O.pbe-rrkjus.UPF
Ga     69.72300  Ga.pbe-n-van.UPF

ATOMIC_POSITIONS {angstrom}
O       1.541484  -3.849257  21.999681
Ga      0.000000  -3.897743  20.961888
Ga      1.541484  -0.871315  20.132741
O       0.000000   0.349057  20.071129
O       0.000000  -2.296858  19.948970
O       1.541484  -1.091119  18.100202
O       1.541484  -3.737034  17.978045
Ga      0.000000  -2.516662  17.916433
Ga      1.541484   0.509766  17.087285
O       0.000000   0.461281  16.049493  0 0 0
O       0.000000  -2.376338  15.950188  0 0 0
Ga      1.541484  -2.424824  14.912395  0 0 0
Ga      0.000000   0.601604  14.083248  0 0 0
O       1.541484   1.821976  14.021636  0 0 0
O       1.541484  -0.823939  13.899477  0 0 0
O       0.000000   0.381800  12.050709  0 0 0
O       0.000000  -2.264115  11.928552  0 0 0
Ga      1.541484  -1.043743  11.866940  0 0 0
Ga      0.000000   1.982685  11.037792  0 0 0
O       1.541484   1.934200  10.000000  0 0 0


Thanks and regards
vishnu
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