! Pwscf input file created with ciftopw.py 
! Compound: Ti3Hg
&control
         calculation     = 'bands'
         prefix          = 'Ti3Hg'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.8020087049430007
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =        8
         ntyp            =        2
         ecutwfc         =       80.00000000
         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 
Ti  47.8670 Ti.rel-pbe-oncvpsp.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
238
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.01612903       0.00000000 1.0 
      0.00000000       0.03225806       0.00000000 1.0 
      0.00000000       0.04838710       0.00000000 1.0 
      0.00000000       0.06451613       0.00000000 1.0 
      0.00000000       0.08064516       0.00000000 1.0 
      0.00000000       0.09677419       0.00000000 1.0 
      0.00000000       0.11290323       0.00000000 1.0 
      0.00000000       0.12903226       0.00000000 1.0 
      0.00000000       0.14516129       0.00000000 1.0 
      0.00000000       0.16129032       0.00000000 1.0 
      0.00000000       0.17741935       0.00000000 1.0 
      0.00000000       0.19354839       0.00000000 1.0 
      0.00000000       0.20967742       0.00000000 1.0 
      0.00000000       0.22580645       0.00000000 1.0 
      0.00000000       0.24193548       0.00000000 1.0 
      0.00000000       0.25806452       0.00000000 1.0 
      0.00000000       0.27419355       0.00000000 1.0 
      0.00000000       0.29032258       0.00000000 1.0 
      0.00000000       0.30645161       0.00000000 1.0 
      0.00000000       0.32258065       0.00000000 1.0 
      0.00000000       0.33870968       0.00000000 1.0 
      0.00000000       0.35483871       0.00000000 1.0 
      0.00000000       0.37096774       0.00000000 1.0 
      0.00000000       0.38709677       0.00000000 1.0 
      0.00000000       0.40322581       0.00000000 1.0 
      0.00000000       0.41935484       0.00000000 1.0 
      0.00000000       0.43548387       0.00000000 1.0 
      0.00000000       0.45161290       0.00000000 1.0 
      0.00000000       0.46774194       0.00000000 1.0 
      0.00000000       0.48387097       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.01612903       0.50000000       0.00000000 1.0 
      0.03225806       0.50000000       0.00000000 1.0 
      0.04838710       0.50000000       0.00000000 1.0 
      0.06451613       0.50000000       0.00000000 1.0 
      0.08064516       0.50000000       0.00000000 1.0 
      0.09677419       0.50000000       0.00000000 1.0 
      0.11290323       0.50000000       0.00000000 1.0 
      0.12903226       0.50000000       0.00000000 1.0 
      0.14516129       0.50000000       0.00000000 1.0 
      0.16129032       0.50000000       0.00000000 1.0 
      0.17741935       0.50000000       0.00000000 1.0 
      0.19354839       0.50000000       0.00000000 1.0 
      0.20967742       0.50000000       0.00000000 1.0 
      0.22580645       0.50000000       0.00000000 1.0 
      0.24193548       0.50000000       0.00000000 1.0 
      0.25806452       0.50000000       0.00000000 1.0 
      0.27419355       0.50000000       0.00000000 1.0 
      0.29032258       0.50000000       0.00000000 1.0 
      0.30645161       0.50000000       0.00000000 1.0 
      0.32258065       0.50000000       0.00000000 1.0 
      0.33870968       0.50000000       0.00000000 1.0 
      0.35483871       0.50000000       0.00000000 1.0 
      0.37096774       0.50000000       0.00000000 1.0 
      0.38709677       0.50000000       0.00000000 1.0 
      0.40322581       0.50000000       0.00000000 1.0 
      0.41935484       0.50000000       0.00000000 1.0 
      0.43548387       0.50000000       0.00000000 1.0 
      0.45161290       0.50000000       0.00000000 1.0 
      0.46774194       0.50000000       0.00000000 1.0 
      0.48387097       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48837209       0.48837209       0.00000000 1.0 
      0.47674419       0.47674419       0.00000000 1.0 
      0.46511628       0.46511628       0.00000000 1.0 
      0.45348837       0.45348837       0.00000000 1.0 
      0.44186047       0.44186047       0.00000000 1.0 
      0.43023256       0.43023256       0.00000000 1.0 
      0.41860465       0.41860465       0.00000000 1.0 
      0.40697674       0.40697674       0.00000000 1.0 
      0.39534884       0.39534884       0.00000000 1.0 
      0.38372093       0.38372093       0.00000000 1.0 
      0.37209302       0.37209302       0.00000000 1.0 
      0.36046512       0.36046512       0.00000000 1.0 
      0.34883721       0.34883721       0.00000000 1.0 
      0.33720930       0.33720930       0.00000000 1.0 
      0.32558140       0.32558140       0.00000000 1.0 
      0.31395349       0.31395349       0.00000000 1.0 
      0.30232558       0.30232558       0.00000000 1.0 
      0.29069767       0.29069767       0.00000000 1.0 
      0.27906977       0.27906977       0.00000000 1.0 
      0.26744186       0.26744186       0.00000000 1.0 
      0.25581395       0.25581395       0.00000000 1.0 
      0.24418605       0.24418605       0.00000000 1.0 
      0.23255814       0.23255814       0.00000000 1.0 
      0.22093023       0.22093023       0.00000000 1.0 
      0.20930233       0.20930233       0.00000000 1.0 
      0.19767442       0.19767442       0.00000000 1.0 
      0.18604651       0.18604651       0.00000000 1.0 
      0.17441860       0.17441860       0.00000000 1.0 
      0.16279070       0.16279070       0.00000000 1.0 
      0.15116279       0.15116279       0.00000000 1.0 
      0.13953488       0.13953488       0.00000000 1.0 
      0.12790698       0.12790698       0.00000000 1.0 
      0.11627907       0.11627907       0.00000000 1.0 
      0.10465116       0.10465116       0.00000000 1.0 
      0.09302326       0.09302326       0.00000000 1.0 
      0.08139535       0.08139535       0.00000000 1.0 
      0.06976744       0.06976744       0.00000000 1.0 
      0.05813953       0.05813953       0.00000000 1.0 
      0.04651163       0.04651163       0.00000000 1.0 
      0.03488372       0.03488372       0.00000000 1.0 
      0.02325581       0.02325581       0.00000000 1.0 
      0.01162791       0.01162791       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00943396       0.00943396       0.00943396 1.0 
      0.01886792       0.01886792       0.01886792 1.0 
      0.02830189       0.02830189       0.02830189 1.0 
      0.03773585       0.03773585       0.03773585 1.0 
      0.04716981       0.04716981       0.04716981 1.0 
      0.05660377       0.05660377       0.05660377 1.0 
      0.06603774       0.06603774       0.06603774 1.0 
      0.07547170       0.07547170       0.07547170 1.0 
      0.08490566       0.08490566       0.08490566 1.0 
      0.09433962       0.09433962       0.09433962 1.0 
      0.10377358       0.10377358       0.10377358 1.0 
      0.11320755       0.11320755       0.11320755 1.0 
      0.12264151       0.12264151       0.12264151 1.0 
      0.13207547       0.13207547       0.13207547 1.0 
      0.14150943       0.14150943       0.14150943 1.0 
      0.15094340       0.15094340       0.15094340 1.0 
      0.16037736       0.16037736       0.16037736 1.0 
      0.16981132       0.16981132       0.16981132 1.0 
      0.17924528       0.17924528       0.17924528 1.0 
      0.18867925       0.18867925       0.18867925 1.0 
      0.19811321       0.19811321       0.19811321 1.0 
      0.20754717       0.20754717       0.20754717 1.0 
      0.21698113       0.21698113       0.21698113 1.0 
      0.22641509       0.22641509       0.22641509 1.0 
      0.23584906       0.23584906       0.23584906 1.0 
      0.24528302       0.24528302       0.24528302 1.0 
      0.25471698       0.25471698       0.25471698 1.0 
      0.26415094       0.26415094       0.26415094 1.0 
      0.27358491       0.27358491       0.27358491 1.0 
      0.28301887       0.28301887       0.28301887 1.0 
      0.29245283       0.29245283       0.29245283 1.0 
      0.30188679       0.30188679       0.30188679 1.0 
      0.31132075       0.31132075       0.31132075 1.0 
      0.32075472       0.32075472       0.32075472 1.0 
      0.33018868       0.33018868       0.33018868 1.0 
      0.33962264       0.33962264       0.33962264 1.0 
      0.34905660       0.34905660       0.34905660 1.0 
      0.35849057       0.35849057       0.35849057 1.0 
      0.36792453       0.36792453       0.36792453 1.0 
      0.37735849       0.37735849       0.37735849 1.0 
      0.38679245       0.38679245       0.38679245 1.0 
      0.39622642       0.39622642       0.39622642 1.0 
      0.40566038       0.40566038       0.40566038 1.0 
      0.41509434       0.41509434       0.41509434 1.0 
      0.42452830       0.42452830       0.42452830 1.0 
      0.43396226       0.43396226       0.43396226 1.0 
      0.44339623       0.44339623       0.44339623 1.0 
      0.45283019       0.45283019       0.45283019 1.0 
      0.46226415       0.46226415       0.46226415 1.0 
      0.47169811       0.47169811       0.47169811 1.0 
      0.48113208       0.48113208       0.48113208 1.0 
      0.49056604       0.49056604       0.49056604 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48837209       0.50000000       0.48837209 1.0 
      0.47674419       0.50000000       0.47674419 1.0 
      0.46511628       0.50000000       0.46511628 1.0 
      0.45348837       0.50000000       0.45348837 1.0 
      0.44186047       0.50000000       0.44186047 1.0 
      0.43023256       0.50000000       0.43023256 1.0 
      0.41860465       0.50000000       0.41860465 1.0 
      0.40697674       0.50000000       0.40697674 1.0 
      0.39534884       0.50000000       0.39534884 1.0 
      0.38372093       0.50000000       0.38372093 1.0 
      0.37209302       0.50000000       0.37209302 1.0 
      0.36046512       0.50000000       0.36046512 1.0 
      0.34883721       0.50000000       0.34883721 1.0 
      0.33720930       0.50000000       0.33720930 1.0 
      0.32558140       0.50000000       0.32558140 1.0 
      0.31395349       0.50000000       0.31395349 1.0 
      0.30232558       0.50000000       0.30232558 1.0 
      0.29069767       0.50000000       0.29069767 1.0 
      0.27906977       0.50000000       0.27906977 1.0 
      0.26744186       0.50000000       0.26744186 1.0 
      0.25581395       0.50000000       0.25581395 1.0 
      0.24418605       0.50000000       0.24418605 1.0 
      0.23255814       0.50000000       0.23255814 1.0 
      0.22093023       0.50000000       0.22093023 1.0 
      0.20930233       0.50000000       0.20930233 1.0 
      0.19767442       0.50000000       0.19767442 1.0 
      0.18604651       0.50000000       0.18604651 1.0 
      0.17441860       0.50000000       0.17441860 1.0 
      0.16279070       0.50000000       0.16279070 1.0 
      0.15116279       0.50000000       0.15116279 1.0 
      0.13953488       0.50000000       0.13953488 1.0 
      0.12790698       0.50000000       0.12790698 1.0 
      0.11627907       0.50000000       0.11627907 1.0 
      0.10465116       0.50000000       0.10465116 1.0 
      0.09302326       0.50000000       0.09302326 1.0 
      0.08139535       0.50000000       0.08139535 1.0 
      0.06976744       0.50000000       0.06976744 1.0 
      0.05813953       0.50000000       0.05813953 1.0 
      0.04651163       0.50000000       0.04651163 1.0 
      0.03488372       0.50000000       0.03488372 1.0 
      0.02325581       0.50000000       0.02325581 1.0 
      0.01162791       0.50000000       0.01162791 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.01612903 1.0 
      0.50000000       0.50000000       0.03225806 1.0 
      0.50000000       0.50000000       0.04838710 1.0 
      0.50000000       0.50000000       0.06451613 1.0 
      0.50000000       0.50000000       0.08064516 1.0 
      0.50000000       0.50000000       0.09677419 1.0 
      0.50000000       0.50000000       0.11290323 1.0 
      0.50000000       0.50000000       0.12903226 1.0 
      0.50000000       0.50000000       0.14516129 1.0 
      0.50000000       0.50000000       0.16129032 1.0 
      0.50000000       0.50000000       0.17741935 1.0 
      0.50000000       0.50000000       0.19354839 1.0 
      0.50000000       0.50000000       0.20967742 1.0 
      0.50000000       0.50000000       0.22580645 1.0 
      0.50000000       0.50000000       0.24193548 1.0 
      0.50000000       0.50000000       0.25806452 1.0 
      0.50000000       0.50000000       0.27419355 1.0 
      0.50000000       0.50000000       0.29032258 1.0 
      0.50000000       0.50000000       0.30645161 1.0 
      0.50000000       0.50000000       0.32258065 1.0 
      0.50000000       0.50000000       0.33870968 1.0 
      0.50000000       0.50000000       0.35483871 1.0 
      0.50000000       0.50000000       0.37096774 1.0 
      0.50000000       0.50000000       0.38709677 1.0 
      0.50000000       0.50000000       0.40322581 1.0 
      0.50000000       0.50000000       0.41935484 1.0 
      0.50000000       0.50000000       0.43548387 1.0 
      0.50000000       0.50000000       0.45161290 1.0 
      0.50000000       0.50000000       0.46774194 1.0 
      0.50000000       0.50000000       0.48387097 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

