&control
    title='10g 2000K for Li with 3 electrons'
    calculation='scf'
    restart_mode='from_scratch'
    prefix = 'Li' ,
    tstress=.true.
    pseudo_dir = '../../Psuedo',
    outdir='./tmp'
    disk_io='high',
    wf_collect=.true.
 /
 &system
    ibrav=1,
    celldm(1)=9.786 ,
    nat=128,
    ntyp=2,
    ecutwfc=400.0, ecutrho=3200.0
    nosym = .true. ,
    occupations='smearing', smearing='fermi-dirac', degauss=0.012673115 ,
    nbnd = 400 ,
 /
 &electrons
    diagonalization = 'david' ,
    electron_maxstep = 100
    mixing_beta = 0.1  
    mixing_mode = 'local-TF' ,
    conv_thr =  1.0d-8,
    startingwfc = 'random' ,
 /      
ATOMIC_SPECIES
Li   6.94   Li.pbe-gipaw.UPF
Lih  6.941  Li.start1s.pbe-gipaw.UPF
ATOMIC_POSITIONS {crystal}
Li      -0.171976250   0.141180136   0.128876996
Lih      0.026884200   0.182722955   0.156373862
Li      -0.249091610  -0.080593848  -0.108620214
Li       0.094904730   0.022454354   0.263984853
Li       0.460355007   0.419465351   0.636642537
Li      -0.039669649   0.053090931   0.686447063
Li      -0.044135897   0.090633707   0.876617739
Li       0.012338239   0.251335030   0.756624799
Li       0.046909611   0.406894739  -0.006324906
Li      -0.005431686   0.310256452   0.278771122
Li      -0.201502344   0.338806645   0.286859995
Li       0.081733749   0.519980040   0.383865691
Li      -0.246161260   0.244449112   0.449094726
Li       0.047474233   0.703651143   0.430242394
Li       0.218063578   0.408526229   0.654275665
Li       0.028678541   0.644578925   0.878989386
Li       0.296048696   0.648921401  -0.012062907
Li      -0.097972277   0.847423049  -0.043657617
Li      -0.075533377   0.447730731   0.554260880
Li       0.286685966   0.486375486   0.413115773
Li       0.092497161   0.616983814   0.670021622
Li       0.358527389   0.757796182   0.784683767
Li       0.233049155   0.292254374   0.427788201
Li       0.346264229   0.291964797   0.596424902
Li       0.189900669   0.780016928  -0.261645331
Li       0.030475907   0.809102270  -0.184681057
Li       0.004229055   0.455161519   0.167959351
Li       0.001969697   0.936871702   0.492452111
Li       0.099091100   0.767939170   0.201652936
Li       0.228878362   0.690091755   0.475211876
Li       0.089527224   0.342917331   0.508478781
Li       0.129239233   1.018003527   0.889136653
Li       0.011748510   0.224378825  -0.021429913
Li       0.201448125   0.125483129   0.115883386
Li       0.202991752  -0.127380843   0.340336024
Li       0.359776337  -0.014547811   0.274746387
Li       0.336203267   0.120789215   0.411780374
Li       0.177243394  -0.148868417   0.535564968
Li       0.183853059  -0.035880214   0.720876026
Li       0.619152916   0.294660541   1.105845327
Li       0.245229479   0.376388747  -0.016241807
Li       0.440004375   0.383081039   0.222955582
Li       0.215692519   0.271594810   0.235012042
Li       0.235996236   0.413070828   0.155980821
Li       0.390455363   0.129287813   0.654789125
Li       0.156253968   0.103705702   0.430129252
Li       0.497136150   0.247230464   0.866276490
Li       0.228393404   0.518063260   0.856042872
Li       0.437308572   0.613545241   0.074845446
Li       0.125906067   0.633335867   0.052344704
Li       0.368970027   0.575890100   0.232654150
Li       0.171681404   0.564147558   0.228789647
Li       0.282083635   0.558746140   0.595561496
Li       0.455097309   0.842166942   0.640952332
Li       0.190346547   0.785153917   0.950436786
Li       0.518872465   0.808001003   1.116936938
Li       0.389457621   1.199576160   0.208662859
Li       0.513274630   0.984301095   0.167171638
Li       0.518543298   0.781665140  -0.084928763
Li       0.393720691   0.705374431   0.384160142
Li       0.110391900   0.935037522   0.045171317
Li       0.336533717   0.972065791   0.574296537
Li       0.312977083   0.939244037   1.090288486
Li       0.316265309   1.074106272   0.824591871
Li       0.214596647   0.213233319  -0.073377887
Li       0.645966011   0.192377336  -0.042462446
Li       0.499189506   0.217393869   0.404936455
Li       0.442711748  -0.104587761   0.433024807
Li       0.583062531   0.187166209   0.563675651
Li       0.622200665  -0.191957364   0.627053379
Li       0.731395065   0.009489566   0.578703147
Li       0.709819072   0.006168840   1.021211647
Li       0.523221307   0.025756527  -0.012625604
Li       0.892682907   0.525249995  -0.067194361
Li       0.382607320   0.388251526  -0.192786056
Li       0.479930454   0.398539744   0.418982560
Li       0.395802835   0.187673184   0.006779901
Li       0.436706650   0.655973678   0.630384123
Li       0.187110677   0.243052405   0.746070911
Li       0.767245580   0.125797480   0.841034796
Li       0.452900098   0.562744642  -0.203138229
Li       0.499179674   0.568597676   0.476668723
Li       0.616233585   0.459659910   0.277680452
Li       0.615594424   0.339857932   0.675094887
Li       0.735172185   0.187661451   0.681340050
Li       0.662333344   0.399843018   0.846387116
Li       0.456405622   0.388556680   1.014789880
Li       0.667320685   0.604346767   0.863741745
Li       0.588834946   0.526823954  -0.014604590
Li       0.320362757   0.773441472   0.209806241
Li       0.693864803   0.620695209   0.443183270
Li       0.713234557   0.833811230   0.476645062
Li       0.883994899   0.744062548   0.506753441
Li       0.719577126   0.487689311   0.615437118
Li       0.632022637   0.616850365   0.697255578
Li       0.555397942   0.918952194   0.807642225
Li       0.565534590  -0.245511946   0.360178087
Li       0.900878187  -0.019850339   0.089555721
Li       0.570788739   0.023498101   0.462958952
Li       0.764199608   0.134589641   0.281224716
Li       0.679930668  -0.057550639   0.337054054
Li       0.864492016   0.036825444   0.454666910
Li       1.132795951   0.095125964   0.616684212
Li       0.561351695   0.096475743   0.715235894
Li       0.711320611   0.472041017   0.109665227
Li       0.897073027   0.473831874   0.370858112
Li       0.721728859  -0.277876894   0.130752884
Li       0.917155414   0.779419646   0.269916929
Li       0.601608641   0.166812435   0.246372293
Li       1.074958758   0.452116501   0.778179312
Li       0.963155219   0.199279978   0.435221796
Li       0.836138732   0.308458801   1.069150887
Li       0.863337667   0.545352475   0.119092328
Li       0.584088069   0.651007597   0.207928071
Li       0.687718630   0.414932308   0.459421058
Li       0.824828428   0.692919616   0.787103193
Li       0.887366499   0.442629199   0.760840044
Li       0.760280549   0.875495770   0.719286312
Li       0.911986938   0.262918487   0.603709939
Li       0.932597838   0.701364079   1.085269227
Li       0.834503210   0.628580080   0.329887266
Li       0.706882730   0.756872939  -0.034623015
Li       0.735201877   0.894567273   0.177574872
Li       0.909358336   0.959763320   0.283208275
Li       0.835286785   0.312808552   0.887732242
Li       0.362030660   0.934054022   0.918402650
Li       0.898811398   0.617738704   0.625765226
Li       0.960671049   0.857737242   0.661288295
K_POINTS {automatic}
2 2 2 0 0 0
