&CONTROL
     calculation = 'relax' ,
     restart_mode = 'from_scratch' ,
     pseudo_dir = '../pseudo' ,
     outdir = './work',
     prefix= 'gr-sc-n',
     tstress = .true. ,
     tprnfor = .true. ,
     etot_conv_thr = 1.d-5
     forc_conv_thr = 1.d-4
     wf_collect=.true.,
     nstep = 100,
/
&SYSTEM
                       ibrav = 0,
                   celldm(1) = 27.89615,
                         nat = 66,
                        ntyp = 3,
                     starting_magnetization(1)= 0.5,
                     noncolin= .true. ,
                     lspinorb= .true. ,
                     ecutwfc = 60.0 ,
                     ecutrho = 600.0 ,
                        nbnd = 280,
                 occupations = 'smearing' ,
                     degauss = 0.02,
                    smearing = 'gaussian' ,
/
&ELECTRONS
                    conv_thr = 5.0e-8 ,
                 mixing_mode = 'plain' ,
                 mixing_beta = 0.25,

/
&IONS
     ion_dynamics      = 'damp',
     pot_extrapolation = 'second_order',
     wfc_extrapolation = 'second_order',

/
CELL_PARAMETERS
     0.8660254037844386   -0.5      0.000000000
     0.8660254037844386    0.5      0.000000000
     0.000000000     0.000000000    1.05

ATOMIC_SPECIES
  Sc     44.955912     Sc.rel-pbe-spn-kjpaw_psl.1.0.0.UPF
  C     12.01070       C.rel-pbe-n-kjpaw_psl.1.0.0.UPF
  N     14.0067        N.rel-pbe-n-kjpaw_psl.1.0.0.UPF

ATOMIC_POSITIONS (angstrom)
   Sc         -0.01172422        -0.00229281          1.57124774
   C          1.40619419         -0.00231833          1.57398292
   C          2.11189463         -1.25230193          1.57415806
   C          2.11211866          1.24751828          1.57385102
   C          3.54724982         -1.23888973          1.57401669
   C          3.54741847          1.23404436          1.57384665
   C          4.25567319         -2.46715404          1.57131900
   C          4.27630343         -0.00242496          1.57381525
   C          4.25634189          2.46202282          1.57127435
  C          5.69899295         -2.44679380          1.57112957
   C          5.70292486         -0.00267281          1.57434841
   C          5.69977245          2.44143906          1.57146618
   C          6.41091214         -3.67964743          1.57134275
   C          6.45298022         -1.22842570          1.57600295
   C          6.45359673          1.22275074          1.57625859
   C          6.41140618          3.67441934          1.57168854
   C          7.84319375         -3.63598265          1.57609072
   C          7.90378882         -1.17051664          1.58989905
   C          7.90434471          1.16424864          1.59009945
   C          7.84356954          3.63046015          1.57614348
   C          8.52976057         -4.89815882          1.57457762
   C          8.61885920         -2.40868085          1.58989610
   C          8.61896606          2.40284409          1.58999518
   C          8.52952601          4.89308832          1.57430173
   C          9.96634806         -4.86044795          1.57622484
   N          8.62224356         -0.00352569          1.60945848
   C          9.96605819          4.85586816          1.57578444
   C         10.64456300         -6.12274136          1.57116181
   C         10.64121306         -3.57475321          1.59016962
   N          9.98894892         -2.36900225          1.60966830
   N          9.98899376          2.36357974          1.60986006
   C         10.64083251          3.56996111          1.58988193
   C         10.64442875          6.11821000          1.57103463
   C         12.06822408         -6.12316248          1.57119417
  C         12.06814092          6.11860928          1.57144495
   C         12.07125142         -3.57549776          1.59007931
   N         12.72214780         -2.36949512          1.60934497
   N         12.72146699          2.36452513          1.60849696
   C         12.07102429          3.57096840          1.58990576
   C         12.74630267         -4.86100258          1.57620788
   C         12.74627243          4.85657646          1.57654720
   N         14.08808356         -0.00301900          1.60631823
   C         14.18270337         -4.89828823          1.57450407
   C         14.09265959         -2.40804734          1.58964259
   C         14.09212656          2.40299113          1.58947051
   C         14.18257631          4.89339321          1.57486167
   C         14.86864507         -3.63561595          1.57632099
   C         14.86825362          3.63063195          1.57651482
   C         14.80809766         -1.16968100          1.58839124
   C         14.80728368          1.16430945          1.58835638
   C         16.30097232         -3.67902282          1.57153397
   C         16.25929249         -1.22777935          1.57556833
   C         16.25865317          1.22250564          1.57546209
   C         16.30042857          3.67395480          1.57154906
   C         17.01314415         -2.44616926          1.57172504
   C         17.00956055         -0.00250377          1.57399870
   C         17.01244936          2.44090986          1.57154045
   C         18.45670005         -2.46641261          1.57194370
   C         18.45608798          2.46154984          1.57171898
   C         18.43623296         -0.00234742          1.57429762
   C         19.16582548         -1.23855761          1.57455791
   C         19.16568451          1.23394473          1.57446677
   C         20.60119317         -1.25205088          1.57419693
   C         20.60101196          1.24723637          1.57429256
   C         21.30718967         -0.00229704          1.57414896
   C         22.72509988         -0.00217042          1.57107333
K_POINTS automatic
  1  1  1   0 0  0