! Pwscf input file created with ciftopw.py 
! Compound: TiTeAs
&control
         calculation     = 'bands'
         prefix          = 'TiTeAs'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.4955352671351907
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =           -0.8748434798359880
         celldm(5)       =           -0.7298797517060842
         celldm(6)       =            0.6047232315420724
         nat             =        6
         ntyp            =        3
         ecutwfc         =       80.00000000
         ecutrho         =      320.00000000
         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
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Te 127.6000 Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ti  47.8670 Ti.rel-pbe-oncvpsp.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
374
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00561454       0.00561454       0.00561454 1.0 
     -0.01122909       0.01122909       0.01122909 1.0 
     -0.01684363       0.01684363       0.01684363 1.0 
     -0.02245818       0.02245818       0.02245818 1.0 
     -0.02807272       0.02807272       0.02807272 1.0 
     -0.03368727       0.03368727       0.03368727 1.0 
     -0.03930181       0.03930181       0.03930181 1.0 
     -0.04491636       0.04491636       0.04491636 1.0 
     -0.05053090       0.05053090       0.05053090 1.0 
     -0.05614545       0.05614545       0.05614545 1.0 
     -0.06175999       0.06175999       0.06175999 1.0 
     -0.06737454       0.06737454       0.06737454 1.0 
     -0.07298908       0.07298908       0.07298908 1.0 
     -0.07860363       0.07860363       0.07860363 1.0 
     -0.08421817       0.08421817       0.08421817 1.0 
     -0.08983272       0.08983272       0.08983272 1.0 
     -0.09544726       0.09544726       0.09544726 1.0 
     -0.10106181       0.10106181       0.10106181 1.0 
     -0.10667635       0.10667635       0.10667635 1.0 
     -0.11229089       0.11229089       0.11229089 1.0 
     -0.11790544       0.11790544       0.11790544 1.0 
     -0.12351998       0.12351998       0.12351998 1.0 
     -0.12913453       0.12913453       0.12913453 1.0 
     -0.13474907       0.13474907       0.13474907 1.0 
     -0.14036362       0.14036362       0.14036362 1.0 
     -0.14597816       0.14597816       0.14597816 1.0 
     -0.15159271       0.15159271       0.15159271 1.0 
     -0.15720725       0.15720725       0.15720725 1.0 
     -0.16282180       0.16282180       0.16282180 1.0 
     -0.16843634       0.16843634       0.16843634 1.0 
     -0.17405089       0.17405089       0.17405089 1.0 
     -0.17966543       0.17966543       0.17966543 1.0 
     -0.18527998       0.18527998       0.18527998 1.0 
     -0.19089452       0.19089452       0.19089452 1.0 
     -0.19650907       0.19650907       0.19650907 1.0 
     -0.20212361       0.20212361       0.20212361 1.0 
     -0.20773816       0.20773816       0.20773816 1.0 
     -0.21335270       0.21335270       0.21335270 1.0 
     -0.21896724       0.21896724       0.21896724 1.0 
     -0.22458179       0.22458179       0.22458179 1.0 
     -0.23019633       0.23019633       0.23019633 1.0 
     -0.23581088       0.23581088       0.23581088 1.0 
     -0.24142542       0.24142542       0.24142542 1.0 
     -0.24703997       0.24703997       0.24703997 1.0 
     -0.25265451       0.25265451       0.25265451 1.0 
     -0.25826906       0.25826906       0.25826906 1.0 
     -0.26388360       0.26388360       0.26388360 1.0 
     -0.26949815       0.26949815       0.26949815 1.0 
     -0.26949815       0.26949815       0.26949815 1.0 
     -0.26118143       0.26118143       0.27781486 1.0 
     -0.25286471       0.25286471       0.28613158 1.0 
     -0.24454799       0.24454799       0.29444830 1.0 
     -0.23623128       0.23623128       0.30276502 1.0 
     -0.22791456       0.22791456       0.31108174 1.0 
     -0.21959784       0.21959784       0.31939845 1.0 
     -0.21128112       0.21128112       0.32771517 1.0 
     -0.20296441       0.20296441       0.33603189 1.0 
     -0.19464769       0.19464769       0.34434861 1.0 
     -0.18633097       0.18633097       0.35266532 1.0 
     -0.17801425       0.17801425       0.36098204 1.0 
     -0.16969754       0.16969754       0.36929876 1.0 
     -0.16138082       0.16138082       0.37761548 1.0 
     -0.15306410       0.15306410       0.38593219 1.0 
     -0.14474738       0.14474738       0.39424891 1.0 
     -0.13643067       0.13643067       0.40256563 1.0 
     -0.12811395       0.12811395       0.41088235 1.0 
     -0.11979723       0.11979723       0.41919906 1.0 
     -0.11148051       0.11148051       0.42751578 1.0 
     -0.10316380       0.10316380       0.43583250 1.0 
     -0.09484708       0.09484708       0.44414922 1.0 
     -0.08653036       0.08653036       0.45246593 1.0 
     -0.07821364       0.07821364       0.46078265 1.0 
     -0.06989693       0.06989693       0.46909937 1.0 
     -0.06158021       0.06158021       0.47741609 1.0 
     -0.06158021       0.06158021       0.47741609 1.0 
     -0.05278304       0.05278304       0.48064236 1.0 
     -0.04398586       0.04398586       0.48386863 1.0 
     -0.03518869       0.03518869       0.48709491 1.0 
     -0.02639152       0.02639152       0.49032118 1.0 
     -0.01759435       0.01759435       0.49354745 1.0 
     -0.00879717       0.00879717       0.49677373 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01923077       0.01923077       0.48076923 1.0 
      0.03846154       0.03846154       0.46153846 1.0 
      0.05769231       0.05769231       0.44230769 1.0 
      0.07692308       0.07692308       0.42307692 1.0 
      0.09615385       0.09615385       0.40384615 1.0 
      0.11538462       0.11538462       0.38461538 1.0 
      0.13461538       0.13461538       0.36538462 1.0 
      0.15384615       0.15384615       0.34615385 1.0 
      0.17307692       0.17307692       0.32692308 1.0 
      0.19230769       0.19230769       0.30769231 1.0 
      0.21153846       0.21153846       0.28846154 1.0 
      0.23076923       0.23076923       0.26923077 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.24166667       0.25833333       0.24166667 1.0 
      0.23333333       0.26666667       0.23333333 1.0 
      0.22500000       0.27500000       0.22500000 1.0 
      0.21666667       0.28333333       0.21666667 1.0 
      0.20833333       0.29166667       0.20833333 1.0 
      0.20000000       0.30000000       0.20000000 1.0 
      0.19166667       0.30833333       0.19166667 1.0 
      0.18333333       0.31666667       0.18333333 1.0 
      0.17500000       0.32500000       0.17500000 1.0 
      0.16666667       0.33333333       0.16666667 1.0 
      0.15833333       0.34166667       0.15833333 1.0 
      0.15000000       0.35000000       0.15000000 1.0 
      0.14166667       0.35833333       0.14166667 1.0 
      0.13333333       0.36666667       0.13333333 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
      0.11666667       0.38333333       0.11666667 1.0 
      0.10833333       0.39166667       0.10833333 1.0 
      0.10000000       0.40000000       0.10000000 1.0 
      0.09166667       0.40833333       0.09166667 1.0 
      0.08333333       0.41666667       0.08333333 1.0 
      0.07500000       0.42500000       0.07500000 1.0 
      0.06666667       0.43333333       0.06666667 1.0 
      0.05833333       0.44166667       0.05833333 1.0 
      0.05000000       0.45000000       0.05000000 1.0 
      0.04166667       0.45833333       0.04166667 1.0 
      0.03333333       0.46666667       0.03333333 1.0 
      0.02500000       0.47500000       0.02500000 1.0 
      0.01666667       0.48333333       0.01666667 1.0 
      0.00833333       0.49166667       0.00833333 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.02073063       0.51773091      -0.02073063 1.0 
      0.04146125       0.53546182      -0.04146125 1.0 
      0.06219188       0.55319274      -0.06219188 1.0 
      0.08292251       0.57092365      -0.08292251 1.0 
      0.10365313       0.58865456      -0.10365313 1.0 
      0.12438376       0.60638547      -0.12438376 1.0 
      0.14511439       0.62411638      -0.14511439 1.0 
      0.16584501       0.64184729      -0.16584501 1.0 
      0.18657564       0.65957821      -0.18657564 1.0 
      0.20730627       0.67730912      -0.20730627 1.0 
      0.22803689       0.69504003      -0.22803689 1.0 
      0.24876752       0.71277094      -0.24876752 1.0 
      0.26949815       0.73050185      -0.26949815 1.0 
      0.26949815       0.73050185      -0.26949815 1.0 
      0.27512014       0.72487986      -0.27512014 1.0 
      0.28074214       0.71925786      -0.28074214 1.0 
      0.28636414       0.71363586      -0.28636414 1.0 
      0.29198613       0.70801387      -0.29198613 1.0 
      0.29760813       0.70239187      -0.29760813 1.0 
      0.30323013       0.69676987      -0.30323013 1.0 
      0.30885212       0.69114788      -0.30885212 1.0 
      0.31447412       0.68552588      -0.31447412 1.0 
      0.32009612       0.67990388      -0.32009612 1.0 
      0.32571811       0.67428189      -0.32571811 1.0 
      0.33134011       0.66865989      -0.33134011 1.0 
      0.33696210       0.66303790      -0.33696210 1.0 
      0.34258410       0.65741590      -0.34258410 1.0 
      0.34820610       0.65179390      -0.34820610 1.0 
      0.35382809       0.64617191      -0.35382809 1.0 
      0.35945009       0.64054991      -0.35945009 1.0 
      0.36507209       0.63492791      -0.36507209 1.0 
      0.37069408       0.62930592      -0.37069408 1.0 
      0.37631608       0.62368392      -0.37631608 1.0 
      0.38193808       0.61806192      -0.38193808 1.0 
      0.38756007       0.61243993      -0.38756007 1.0 
      0.39318207       0.60681793      -0.39318207 1.0 
      0.39880406       0.60119594      -0.39880406 1.0 
      0.40442606       0.59557394      -0.40442606 1.0 
      0.41004806       0.58995194      -0.41004806 1.0 
      0.41567005       0.58432995      -0.41567005 1.0 
      0.42129205       0.57870795      -0.42129205 1.0 
      0.42691405       0.57308595      -0.42691405 1.0 
      0.43253604       0.56746396      -0.43253604 1.0 
      0.43815804       0.56184196      -0.43815804 1.0 
      0.44378004       0.55621996      -0.44378004 1.0 
      0.44940203       0.55059797      -0.44940203 1.0 
      0.45502403       0.54497597      -0.45502403 1.0 
      0.46064603       0.53935397      -0.46064603 1.0 
      0.46626802       0.53373198      -0.46626802 1.0 
      0.47189002       0.52810998      -0.47189002 1.0 
      0.47751201       0.52248799      -0.47751201 1.0 
      0.48313401       0.51686599      -0.48313401 1.0 
      0.48875601       0.51124399      -0.48875601 1.0 
      0.49437800       0.50562200      -0.49437800 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.48000000       0.48000000      -0.48000000 1.0 
      0.46000000       0.46000000      -0.46000000 1.0 
      0.44000000       0.44000000      -0.44000000 1.0 
      0.42000000       0.42000000      -0.42000000 1.0 
      0.40000000       0.40000000      -0.40000000 1.0 
      0.38000000       0.38000000      -0.38000000 1.0 
      0.36000000       0.36000000      -0.36000000 1.0 
      0.34000000       0.34000000      -0.34000000 1.0 
      0.32000000       0.32000000      -0.32000000 1.0 
      0.30000000       0.30000000      -0.30000000 1.0 
      0.28000000       0.28000000      -0.28000000 1.0 
      0.26000000       0.26000000      -0.26000000 1.0 
      0.24000000       0.24000000      -0.24000000 1.0 
      0.22000000       0.22000000      -0.22000000 1.0 
      0.20000000       0.20000000      -0.20000000 1.0 
      0.18000000       0.18000000      -0.18000000 1.0 
      0.16000000       0.16000000      -0.16000000 1.0 
      0.14000000       0.14000000      -0.14000000 1.0 
      0.12000000       0.12000000      -0.12000000 1.0 
      0.10000000       0.10000000      -0.10000000 1.0 
      0.08000000       0.08000000      -0.08000000 1.0 
      0.06000000       0.06000000      -0.06000000 1.0 
      0.04000000       0.04000000      -0.04000000 1.0 
      0.02000000       0.02000000      -0.02000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00834520      -0.00834520       0.00834520 1.0 
      0.01669040      -0.01669040       0.01669040 1.0 
      0.02503561      -0.02503561       0.02503561 1.0 
      0.03338081      -0.03338081       0.03338081 1.0 
      0.04172601      -0.04172601       0.04172601 1.0 
      0.05007121      -0.05007121       0.05007121 1.0 
      0.05841641      -0.05841641       0.05841641 1.0 
      0.06676161      -0.06676161       0.06676161 1.0 
      0.07510682      -0.07510682       0.07510682 1.0 
      0.08345202      -0.08345202       0.08345202 1.0 
      0.09179722      -0.09179722       0.09179722 1.0 
      0.10014242      -0.10014242       0.10014242 1.0 
      0.10848762      -0.10848762       0.10848762 1.0 
      0.11683282      -0.11683282       0.11683282 1.0 
      0.12517803      -0.12517803       0.12517803 1.0 
      0.13352323      -0.13352323       0.13352323 1.0 
      0.14186843      -0.14186843       0.14186843 1.0 
      0.15021363      -0.15021363       0.15021363 1.0 
      0.15855883      -0.15855883       0.15855883 1.0 
      0.16690404      -0.16690404       0.16690404 1.0 
      0.17524924      -0.17524924       0.17524924 1.0 
      0.18359444      -0.18359444       0.18359444 1.0 
      0.19193964      -0.19193964       0.19193964 1.0 
      0.20028484      -0.20028484       0.20028484 1.0 
      0.20863004      -0.20863004       0.20863004 1.0 
      0.21697525      -0.21697525       0.21697525 1.0 
      0.22532045      -0.22532045       0.22532045 1.0 
      0.23366565      -0.23366565       0.23366565 1.0 
      0.24201085      -0.24201085       0.24201085 1.0 
      0.25035605      -0.25035605       0.25035605 1.0 
      0.25870125      -0.25870125       0.25870125 1.0 
      0.26704646      -0.26704646       0.26704646 1.0 
      0.27539166      -0.27539166       0.27539166 1.0 
      0.28373686      -0.28373686       0.28373686 1.0 
      0.29208206      -0.29208206       0.29208206 1.0 
      0.29208206      -0.29208206       0.29208206 1.0 
      0.30693334      -0.27121906       0.27121906 1.0 
      0.32178462      -0.25035605       0.25035605 1.0 
      0.33663591      -0.22949305       0.22949305 1.0 
      0.35148719      -0.20863004       0.20863004 1.0 
      0.36633847      -0.18776704       0.18776704 1.0 
      0.38118975      -0.16690404       0.16690404 1.0 
      0.39604103      -0.14604103       0.14604103 1.0 
      0.41089231      -0.12517803       0.12517803 1.0 
      0.42574359      -0.10431502       0.10431502 1.0 
      0.44059487      -0.08345202       0.08345202 1.0 
      0.45544616      -0.06258901       0.06258901 1.0 
      0.47029744      -0.04172601       0.04172601 1.0 
      0.48514872      -0.02086300       0.02086300 1.0 
      0.50000000      -0.00000000       0.00000000 1.0 
      0.50000000      -0.00000000       0.00000000 1.0 
      0.49431818       0.00568182       0.00568182 1.0 
      0.48863636       0.01136364       0.01136364 1.0 
      0.48295455       0.01704545       0.01704545 1.0 
      0.47727273       0.02272727       0.02272727 1.0 
      0.47159091       0.02840909       0.02840909 1.0 
      0.46590909       0.03409091       0.03409091 1.0 
      0.46022727       0.03977273       0.03977273 1.0 
      0.45454545       0.04545455       0.04545455 1.0 
      0.44886364       0.05113636       0.05113636 1.0 
      0.44318182       0.05681818       0.05681818 1.0 
      0.43750000       0.06250000       0.06250000 1.0 
      0.43181818       0.06818182       0.06818182 1.0 
      0.42613636       0.07386364       0.07386364 1.0 
      0.42045455       0.07954545       0.07954545 1.0 
      0.41477273       0.08522727       0.08522727 1.0 
      0.40909091       0.09090909       0.09090909 1.0 
      0.40340909       0.09659091       0.09659091 1.0 
      0.39772727       0.10227273       0.10227273 1.0 
      0.39204545       0.10795455       0.10795455 1.0 
      0.38636364       0.11363636       0.11363636 1.0 
      0.38068182       0.11931818       0.11931818 1.0 
      0.37500000       0.12500000       0.12500000 1.0 
      0.36931818       0.13068182       0.13068182 1.0 
      0.36363636       0.13636364       0.13636364 1.0 
      0.35795455       0.14204545       0.14204545 1.0 
      0.35227273       0.14772727       0.14772727 1.0 
      0.34659091       0.15340909       0.15340909 1.0 
      0.34090909       0.15909091       0.15909091 1.0 
      0.33522727       0.16477273       0.16477273 1.0 
      0.32954545       0.17045455       0.17045455 1.0 
      0.32386364       0.17613636       0.17613636 1.0 
      0.31818182       0.18181818       0.18181818 1.0 
      0.31250000       0.18750000       0.18750000 1.0 
      0.30681818       0.19318182       0.19318182 1.0 
      0.30113636       0.19886364       0.19886364 1.0 
      0.29545455       0.20454545       0.20454545 1.0 
      0.28977273       0.21022727       0.21022727 1.0 
      0.28409091       0.21590909       0.21590909 1.0 
      0.27840909       0.22159091       0.22159091 1.0 
      0.27272727       0.22727273       0.22727273 1.0 
      0.26704545       0.23295455       0.23295455 1.0 
      0.26136364       0.23863636       0.23863636 1.0 
      0.25568182       0.24431818       0.24431818 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.06158021      -0.06158021       0.52258391 1.0 
      0.06720221      -0.06720221       0.51696192 1.0 
      0.07282420      -0.07282420       0.51133992 1.0 
      0.07844620      -0.07844620       0.50571793 1.0 
      0.08406819      -0.08406819       0.50009593 1.0 
      0.08969019      -0.08969019       0.49447393 1.0 
      0.09531219      -0.09531219       0.48885194 1.0 
      0.10093418      -0.10093418       0.48322994 1.0 
      0.10655618      -0.10655618       0.47760794 1.0 
      0.11217818      -0.11217818       0.47198595 1.0 
      0.11780017      -0.11780017       0.46636395 1.0 
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      0.50000000       0.50000000      -0.50000000 1.0 

