! Pwscf input file created with ciftopw.py 
! Compound: HgI2
&control
         calculation     = 'bands'
         prefix          = 'HgI2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.2373155860510003
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            2.8261069052534982
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =        6
         ntyp            =        2
         ecutwfc         =       43.00000000
         ecutrho         =      416.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-05 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Hg 200.5900 Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 I 126.9045 I.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
298
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.01351351       0.00000000 1.0 
      0.00000000       0.02702703       0.00000000 1.0 
      0.00000000       0.04054054       0.00000000 1.0 
      0.00000000       0.05405405       0.00000000 1.0 
      0.00000000       0.06756757       0.00000000 1.0 
      0.00000000       0.08108108       0.00000000 1.0 
      0.00000000       0.09459459       0.00000000 1.0 
      0.00000000       0.10810811       0.00000000 1.0 
      0.00000000       0.12162162       0.00000000 1.0 
      0.00000000       0.13513514       0.00000000 1.0 
      0.00000000       0.14864865       0.00000000 1.0 
      0.00000000       0.16216216       0.00000000 1.0 
      0.00000000       0.17567568       0.00000000 1.0 
      0.00000000       0.18918919       0.00000000 1.0 
      0.00000000       0.20270270       0.00000000 1.0 
      0.00000000       0.21621622       0.00000000 1.0 
      0.00000000       0.22972973       0.00000000 1.0 
      0.00000000       0.24324324       0.00000000 1.0 
      0.00000000       0.25675676       0.00000000 1.0 
      0.00000000       0.27027027       0.00000000 1.0 
      0.00000000       0.28378378       0.00000000 1.0 
      0.00000000       0.29729730       0.00000000 1.0 
      0.00000000       0.31081081       0.00000000 1.0 
      0.00000000       0.32432432       0.00000000 1.0 
      0.00000000       0.33783784       0.00000000 1.0 
      0.00000000       0.35135135       0.00000000 1.0 
      0.00000000       0.36486486       0.00000000 1.0 
      0.00000000       0.37837838       0.00000000 1.0 
      0.00000000       0.39189189       0.00000000 1.0 
      0.00000000       0.40540541       0.00000000 1.0 
      0.00000000       0.41891892       0.00000000 1.0 
      0.00000000       0.43243243       0.00000000 1.0 
      0.00000000       0.44594595       0.00000000 1.0 
      0.00000000       0.45945946       0.00000000 1.0 
      0.00000000       0.47297297       0.00000000 1.0 
      0.00000000       0.48648649       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.01351351       0.50000000       0.00000000 1.0 
      0.02702703       0.50000000       0.00000000 1.0 
      0.04054054       0.50000000       0.00000000 1.0 
      0.05405405       0.50000000       0.00000000 1.0 
      0.06756757       0.50000000       0.00000000 1.0 
      0.08108108       0.50000000       0.00000000 1.0 
      0.09459459       0.50000000       0.00000000 1.0 
      0.10810811       0.50000000       0.00000000 1.0 
      0.12162162       0.50000000       0.00000000 1.0 
      0.13513514       0.50000000       0.00000000 1.0 
      0.14864865       0.50000000       0.00000000 1.0 
      0.16216216       0.50000000       0.00000000 1.0 
      0.17567568       0.50000000       0.00000000 1.0 
      0.18918919       0.50000000       0.00000000 1.0 
      0.20270270       0.50000000       0.00000000 1.0 
      0.21621622       0.50000000       0.00000000 1.0 
      0.22972973       0.50000000       0.00000000 1.0 
      0.24324324       0.50000000       0.00000000 1.0 
      0.25675676       0.50000000       0.00000000 1.0 
      0.27027027       0.50000000       0.00000000 1.0 
      0.28378378       0.50000000       0.00000000 1.0 
      0.29729730       0.50000000       0.00000000 1.0 
      0.31081081       0.50000000       0.00000000 1.0 
      0.32432432       0.50000000       0.00000000 1.0 
      0.33783784       0.50000000       0.00000000 1.0 
      0.35135135       0.50000000       0.00000000 1.0 
      0.36486486       0.50000000       0.00000000 1.0 
      0.37837838       0.50000000       0.00000000 1.0 
      0.39189189       0.50000000       0.00000000 1.0 
      0.40540541       0.50000000       0.00000000 1.0 
      0.41891892       0.50000000       0.00000000 1.0 
      0.43243243       0.50000000       0.00000000 1.0 
      0.44594595       0.50000000       0.00000000 1.0 
      0.45945946       0.50000000       0.00000000 1.0 
      0.47297297       0.50000000       0.00000000 1.0 
      0.48648649       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.49019608       0.49019608       0.00000000 1.0 
      0.48039216       0.48039216       0.00000000 1.0 
      0.47058824       0.47058824       0.00000000 1.0 
      0.46078431       0.46078431       0.00000000 1.0 
      0.45098039       0.45098039       0.00000000 1.0 
      0.44117647       0.44117647       0.00000000 1.0 
      0.43137255       0.43137255       0.00000000 1.0 
      0.42156863       0.42156863       0.00000000 1.0 
      0.41176471       0.41176471       0.00000000 1.0 
      0.40196078       0.40196078       0.00000000 1.0 
      0.39215686       0.39215686       0.00000000 1.0 
      0.38235294       0.38235294       0.00000000 1.0 
      0.37254902       0.37254902       0.00000000 1.0 
      0.36274510       0.36274510       0.00000000 1.0 
      0.35294118       0.35294118       0.00000000 1.0 
      0.34313725       0.34313725       0.00000000 1.0 
      0.33333333       0.33333333       0.00000000 1.0 
      0.32352941       0.32352941       0.00000000 1.0 
      0.31372549       0.31372549       0.00000000 1.0 
      0.30392157       0.30392157       0.00000000 1.0 
      0.29411765       0.29411765       0.00000000 1.0 
      0.28431373       0.28431373       0.00000000 1.0 
      0.27450980       0.27450980       0.00000000 1.0 
      0.26470588       0.26470588       0.00000000 1.0 
      0.25490196       0.25490196       0.00000000 1.0 
      0.24509804       0.24509804       0.00000000 1.0 
      0.23529412       0.23529412       0.00000000 1.0 
      0.22549020       0.22549020       0.00000000 1.0 
      0.21568627       0.21568627       0.00000000 1.0 
      0.20588235       0.20588235       0.00000000 1.0 
      0.19607843       0.19607843       0.00000000 1.0 
      0.18627451       0.18627451       0.00000000 1.0 
      0.17647059       0.17647059       0.00000000 1.0 
      0.16666667       0.16666667       0.00000000 1.0 
      0.15686275       0.15686275       0.00000000 1.0 
      0.14705882       0.14705882       0.00000000 1.0 
      0.13725490       0.13725490       0.00000000 1.0 
      0.12745098       0.12745098       0.00000000 1.0 
      0.11764706       0.11764706       0.00000000 1.0 
      0.10784314       0.10784314       0.00000000 1.0 
      0.09803922       0.09803922       0.00000000 1.0 
      0.08823529       0.08823529       0.00000000 1.0 
      0.07843137       0.07843137       0.00000000 1.0 
      0.06862745       0.06862745       0.00000000 1.0 
      0.05882353       0.05882353       0.00000000 1.0 
      0.04901961       0.04901961       0.00000000 1.0 
      0.03921569       0.03921569       0.00000000 1.0 
      0.02941176       0.02941176       0.00000000 1.0 
      0.01960784       0.01960784       0.00000000 1.0 
      0.00980392       0.00980392       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.03846154 1.0 
      0.00000000       0.00000000       0.07692308 1.0 
      0.00000000       0.00000000       0.11538462 1.0 
      0.00000000       0.00000000       0.15384615 1.0 
      0.00000000      -0.00000000       0.19230769 1.0 
      0.00000000       0.00000000       0.23076923 1.0 
      0.00000000       0.00000000       0.26923077 1.0 
      0.00000000       0.00000000       0.30769231 1.0 
     -0.00000000       0.00000000       0.34615385 1.0 
      0.00000000      -0.00000000       0.38461538 1.0 
     -0.00000000       0.00000000       0.42307692 1.0 
      0.00000000       0.00000000       0.46153846 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.01351351       0.50000000 1.0 
      0.00000000       0.02702703       0.50000000 1.0 
      0.00000000       0.04054054       0.50000000 1.0 
      0.00000000       0.05405405       0.50000000 1.0 
      0.00000000       0.06756757       0.50000000 1.0 
      0.00000000       0.08108108       0.50000000 1.0 
      0.00000000       0.09459459       0.50000000 1.0 
      0.00000000       0.10810811       0.50000000 1.0 
      0.00000000       0.12162162       0.50000000 1.0 
      0.00000000       0.13513514       0.50000000 1.0 
      0.00000000       0.14864865       0.50000000 1.0 
      0.00000000       0.16216216       0.50000000 1.0 
      0.00000000       0.17567568       0.50000000 1.0 
      0.00000000       0.18918919       0.50000000 1.0 
      0.00000000       0.20270270       0.50000000 1.0 
      0.00000000       0.21621622       0.50000000 1.0 
      0.00000000       0.22972973       0.50000000 1.0 
      0.00000000       0.24324324       0.50000000 1.0 
      0.00000000       0.25675676       0.50000000 1.0 
      0.00000000       0.27027027       0.50000000 1.0 
      0.00000000       0.28378378       0.50000000 1.0 
      0.00000000       0.29729730       0.50000000 1.0 
      0.00000000       0.31081081       0.50000000 1.0 
      0.00000000       0.32432432       0.50000000 1.0 
      0.00000000       0.33783784       0.50000000 1.0 
      0.00000000       0.35135135       0.50000000 1.0 
      0.00000000       0.36486486       0.50000000 1.0 
      0.00000000       0.37837838       0.50000000 1.0 
      0.00000000       0.39189189       0.50000000 1.0 
      0.00000000       0.40540541       0.50000000 1.0 
      0.00000000       0.41891892       0.50000000 1.0 
      0.00000000       0.43243243       0.50000000 1.0 
      0.00000000       0.44594595       0.50000000 1.0 
      0.00000000       0.45945946       0.50000000 1.0 
      0.00000000       0.47297297       0.50000000 1.0 
      0.00000000       0.48648649       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.01351351       0.50000000       0.50000000 1.0 
      0.02702703       0.50000000       0.50000000 1.0 
      0.04054054       0.50000000       0.50000000 1.0 
      0.05405405       0.50000000       0.50000000 1.0 
      0.06756757       0.50000000       0.50000000 1.0 
      0.08108108       0.50000000       0.50000000 1.0 
      0.09459459       0.50000000       0.50000000 1.0 
      0.10810811       0.50000000       0.50000000 1.0 
      0.12162162       0.50000000       0.50000000 1.0 
      0.13513514       0.50000000       0.50000000 1.0 
      0.14864865       0.50000000       0.50000000 1.0 
      0.16216216       0.50000000       0.50000000 1.0 
      0.17567568       0.50000000       0.50000000 1.0 
      0.18918919       0.50000000       0.50000000 1.0 
      0.20270270       0.50000000       0.50000000 1.0 
      0.21621622       0.50000000       0.50000000 1.0 
      0.22972973       0.50000000       0.50000000 1.0 
      0.24324324       0.50000000       0.50000000 1.0 
      0.25675676       0.50000000       0.50000000 1.0 
      0.27027027       0.50000000       0.50000000 1.0 
      0.28378378       0.50000000       0.50000000 1.0 
      0.29729730       0.50000000       0.50000000 1.0 
      0.31081081       0.50000000       0.50000000 1.0 
      0.32432432       0.50000000       0.50000000 1.0 
      0.33783784       0.50000000       0.50000000 1.0 
      0.35135135       0.50000000       0.50000000 1.0 
      0.36486486       0.50000000       0.50000000 1.0 
      0.37837838       0.50000000       0.50000000 1.0 
      0.39189189       0.50000000       0.50000000 1.0 
      0.40540541       0.50000000       0.50000000 1.0 
      0.41891892       0.50000000       0.50000000 1.0 
      0.43243243       0.50000000       0.50000000 1.0 
      0.44594595       0.50000000       0.50000000 1.0 
      0.45945946       0.50000000       0.50000000 1.0 
      0.47297297       0.50000000       0.50000000 1.0 
      0.48648649       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.49019608       0.49019608       0.50000000 1.0 
      0.48039216       0.48039216       0.50000000 1.0 
      0.47058824       0.47058824       0.50000000 1.0 
      0.46078431       0.46078431       0.50000000 1.0 
      0.45098039       0.45098039       0.50000000 1.0 
      0.44117647       0.44117647       0.50000000 1.0 
      0.43137255       0.43137255       0.50000000 1.0 
      0.42156863       0.42156863       0.50000000 1.0 
      0.41176471       0.41176471       0.50000000 1.0 
      0.40196078       0.40196078       0.50000000 1.0 
      0.39215686       0.39215686       0.50000000 1.0 
      0.38235294       0.38235294       0.50000000 1.0 
      0.37254902       0.37254902       0.50000000 1.0 
      0.36274510       0.36274510       0.50000000 1.0 
      0.35294118       0.35294118       0.50000000 1.0 
      0.34313725       0.34313725       0.50000000 1.0 
      0.33333333       0.33333333       0.50000000 1.0 
      0.32352941       0.32352941       0.50000000 1.0 
      0.31372549       0.31372549       0.50000000 1.0 
      0.30392157       0.30392157       0.50000000 1.0 
      0.29411765       0.29411765       0.50000000 1.0 
      0.28431373       0.28431373       0.50000000 1.0 
      0.27450980       0.27450980       0.50000000 1.0 
      0.26470588       0.26470588       0.50000000 1.0 
      0.25490196       0.25490196       0.50000000 1.0 
      0.24509804       0.24509804       0.50000000 1.0 
      0.23529412       0.23529412       0.50000000 1.0 
      0.22549020       0.22549020       0.50000000 1.0 
      0.21568627       0.21568627       0.50000000 1.0 
      0.20588235       0.20588235       0.50000000 1.0 
      0.19607843       0.19607843       0.50000000 1.0 
      0.18627451       0.18627451       0.50000000 1.0 
      0.17647059       0.17647059       0.50000000 1.0 
      0.16666667       0.16666667       0.50000000 1.0 
      0.15686275       0.15686275       0.50000000 1.0 
      0.14705882       0.14705882       0.50000000 1.0 
      0.13725490       0.13725490       0.50000000 1.0 
      0.12745098       0.12745098       0.50000000 1.0 
      0.11764706       0.11764706       0.50000000 1.0 
      0.10784314       0.10784314       0.50000000 1.0 
      0.09803922       0.09803922       0.50000000 1.0 
      0.08823529       0.08823529       0.50000000 1.0 
      0.07843137       0.07843137       0.50000000 1.0 
      0.06862745       0.06862745       0.50000000 1.0 
      0.05882353       0.05882353       0.50000000 1.0 
      0.04901961       0.04901961       0.50000000 1.0 
      0.03921569       0.03921569       0.50000000 1.0 
      0.02941176       0.02941176       0.50000000 1.0 
      0.01960784       0.01960784       0.50000000 1.0 
      0.00980392       0.00980392       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
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      0.00000000       0.50000000       0.03846154 1.0 
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      0.00000000       0.50000000       0.15384615 1.0 
      0.00000000       0.50000000       0.19230769 1.0 
      0.00000000       0.50000000       0.23076923 1.0 
      0.00000000       0.50000000       0.26923077 1.0 
      0.00000000       0.50000000       0.30769231 1.0 
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     -0.00000000       0.50000000       0.42307692 1.0 
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      0.50000000       0.50000000       0.03846154 1.0 
      0.50000000       0.50000000       0.07692308 1.0 
      0.50000000       0.50000000       0.11538462 1.0 
      0.50000000       0.50000000       0.15384615 1.0 
      0.50000000       0.50000000       0.19230769 1.0 
      0.50000000       0.50000000       0.23076923 1.0 
      0.50000000       0.50000000       0.26923077 1.0 
      0.50000000       0.50000000       0.30769231 1.0 
      0.50000000       0.50000000       0.34615385 1.0 
      0.50000000       0.50000000       0.38461538 1.0 
      0.50000000       0.50000000       0.42307692 1.0 
      0.50000000       0.50000000       0.46153846 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

