 &CONTROL
                 calculation = 'relax' ,
                restart_mode = 'from_scratch' ,
                  wf_collect = .true. ,
                      prefix = 'Ni15' ,
                   verbosity = 'high' ,
               etot_conv_thr = 1.0D-9 ,
               forc_conv_thr = 1.0D-5 ,
                     tstress = .true. ,
                     tprnfor = .true. ,
                    dipfield = .true. ,
                       nstep = 400 ,
                  !max_seconds = 171000 , !47h30
                 max_seconds = 85800 , !23h50
/
&SYSTEM
                      ibrav = 14,
                          A = 10.2303916123 ,
                          B = 10.2303916123 ,
                          C = 28.3547784614 ,
                      cosAB = -0.5 ,
                      cosAC = 0 ,
                      cosBC = 0 ,
                        nat = 120 ,
                       ntyp = 4,
                    ecutwfc = 40.0 , !J. Chem. Phys. 138, 194709
                    ecutrho = 320.0 ,!J. Chem. Phys. 138, 194709
                  input_dft = 'PBE' ,
                occupations = 'smearing' ,
                    degauss = 0.02 ,
                   smearing = 'gaussian' ,
                      nspin = 2 ,
    starting_magnetization(1) = 1.0,
    starting_magnetization(2) = -1.0,
    starting_magnetization(3) = 0.0,
                  lda_plus_u = .true. ,
             lda_plus_u_kind = 0 , !type 1 not implemented, ignores J
                Hubbard_U(1) = 4.2,
                Hubbard_U(2) = 4.2,
               Hubbard_J0(1) = 0.0, !Is ignored!
               Hubbard_J0(2) = 0.0, !Is ignored!
                    vdw_corr = Grimme-D2, ! DFT-D2 dispersion correction
/
&ELECTRONS
           electron_maxstep = 800,
              conv_thr_init = 1e-4 ,
                   conv_thr = 1e-9 ,
                startingpot = 'atomic' ,
                startingwfc = 'random' ,
               adaptive_thr = .true. ,
                mixing_beta = 0.514,
            diagonalization = 'david' ,
/
&IONS
               ion_dynamics = 'bfgs' ,
           trust_radius_min =  1.D-5 ,
/
ATOMIC_SPECIES
 Fe1   55.84500  Fe.pbe-sp-van_ak.UPF
 Fe2   55.84500  Fe.pbe-sp-van_ak.UPF
   O   15.99990  O.pbe-van_ak.UPF
  Ni   58.69340  ni_pbe_v1.4.uspp.F.UPF
ATOMIC_POSITIONS angstrom
Fe2     -0.027398721   2.975087650  15.508744888
Fe1      0.008980331   0.002819087  16.724913479
Fe2      0.005463247   2.987708100   5.846075820
Fe1      2.548570318   1.473861363   4.629907305
Fe2     -0.000071249   0.000023486   6.215435805
Fe1      2.556452394   1.477990304   8.068347301
Fe2     -0.000151526  -0.000367107  10.337294791
Fe1      0.000998098   2.955808326   8.711550581
Fe2      2.557701936   1.477046686  11.017523867
Fe1     -0.000836163   2.956454702  12.643247571
Fe2      2.557621498   1.476656533  15.139381362
Fe1      0.001097523  -0.001310623  13.286471938
O        1.628265367  -0.070029407   4.923665654
O       -0.753462953   1.445213204   4.923624982
O        3.432216273   2.851669257  16.431258686
O        3.311012885   0.031466694  16.431192958
O        0.929284717   1.546709589  16.431152186
O        1.719453738   3.063328552   4.935617114
O        4.114740892   1.483169296   9.527360609
O        1.776174837   2.813645224   9.537207909
O        0.818305829   4.295021438   7.263012672
O        0.780757123   1.577321580   7.201128495
O       -1.583210944   2.967844578   7.222598175
O        1.783291959   0.127553566   9.527401874
O        1.582000766   2.941545529  14.153261275
O       -0.753019221   4.332626484  14.091561254
O        0.774258284   1.349125661  11.827416896
O       -1.775720377   3.084990999  11.819717252
O        3.558830083  -0.003635831  11.825764464
O       -0.804530041   1.589473819  14.132854723
Fe2      5.147743686   2.965977087  15.509212848
Fe1      5.108265431   0.006407881  16.724496172
Fe2      5.115093107   2.953240669   5.824544344
Fe1      7.679675779   1.470271751   4.630324098
Fe2      5.115387464  -0.016295526   6.233336679
Fe1      7.671965960   1.475331480   8.069534500
Fe2      5.115806098   0.000991154  10.335677637
Fe1      5.115914351   2.953573823   8.695337838
Fe2      7.672136086   1.475688604  11.019140856
Fe1      5.117661725   2.952857186  12.644580723
Fe2      7.672554322   1.492975467  15.121483376
Fe1      5.115976209   0.001347912  13.285284319
O        6.717701671  -0.042608163   4.935482065
O        4.343012989   1.398412041   4.931043956
O        8.479667204   2.922707564  16.332140039
O        8.444929650   0.078267481  16.423774081
O        6.070239662   1.519287633  16.419337644
O        6.847920761   3.062033440   4.931586098
O        9.229112188   1.480315193   9.529053669
O        6.888561694   2.822007055   9.528649627
O        5.921654845   4.318673513   7.214025598
O        5.894453035   1.571960750   7.213780171
O        3.529447841   2.969216023   7.213423045
O        6.905707453   0.130573497   9.537498159
O        6.686449871   2.915816256  14.092094652
O        4.335789236   4.331932942  14.132876215
O        5.882235217   1.346105933  11.817321137
O        3.339524212   3.084408134  11.827166773
O        8.673201327  -0.006489484  11.827458233
O        4.314091462   1.588768412  14.153605111
Fe2     -2.563108593   7.348749869  15.508743197
Ni      -2.557523844   4.430128706  17.012229369
Fe2     -2.530248001   7.361371750   5.846074355
Ni      -0.000121891   5.906330634   4.342595776
Fe2     -2.543611850   4.438118632   6.234026609
Fe1     -0.000090676   5.906115548   8.043332570
Fe2     -2.558427272   4.429627920  10.343527219
Fe1     -2.556808915   7.380004154   8.711570923
Fe2      0.000781859   5.906830703  11.011290485
Fe1     -2.558643406   7.380650310  12.643267832
Fe2     -0.014033627   5.898340146  15.120793152
Fe1     -2.557554664   4.430343242  13.311485373
O       -0.901925770   4.453961597   5.023183538
O       -3.321891194   5.838988340   4.936171728
O        0.824825469   7.274425973  16.423231910
O        0.764245971   4.497470475  16.418647475
O       -1.655719952   5.882497489  16.331638885
O       -0.806921519   7.413752060   5.022682394
O        1.555553999   5.912084282   9.533645817
O       -0.781924705   7.251467600   9.535101128
O       -1.753115824   8.746985601   7.221964102
O       -1.804626900   6.003832715   7.263258453
O       -4.139646668   7.394913865   7.201556977
O       -0.773112671   4.557522611   9.534653715
O       -0.974434502   7.368613555  14.132220407
O       -3.338402202   8.759136720  14.153689605
O       -1.784532680   5.778936000  11.820164203
O       -4.333820477   7.522812732  11.817611346
O        1.008942869   4.421754420  11.816367703
O       -3.375950752   6.041436486  14.091807638
Fe2      2.557653331   7.383217982  15.530273572
Fe1      2.555266357   4.420709668  16.724495739
Fe2      2.525003168   7.370482584   5.845606863
Fe1      5.117479923   5.915748683   4.630324868
Fe2      2.543601283   4.437931261   6.233277269
Fe1      5.117352102   5.906938556   8.069514420
Fe2      2.557912866   4.429645588  10.335694027
Ni      2.555084435   7.383601426   8.710237988
Fe2      5.114833415   5.906812885  11.019124428
Ni      2.556831747   7.382884887  12.659479917
Fe2      5.129144929   5.898527377  15.121543090
Fe1      2.555394424   4.429520667  13.285304354
O        4.154901481   4.399381779   4.930920360
O        1.708846627   5.851597361   5.022636214
O        5.953292176   7.273131031  16.419201757
O        5.963898240   4.484861669  16.332188099
O        3.517844233   5.937076936  16.423899231
O        4.240529997   7.484789300   4.923559846
O        6.663803179   5.914704463   9.538450466
O        4.333221578   7.252050650   9.527652233
O        3.358654680   8.747690720   7.201212674
O        3.336957749   6.004526174   7.221942254
O        0.986296369   7.420643734   7.262725963
O        4.341521606   4.554220923   9.529030811
O        4.143298343   7.367242121  14.141395662
O        1.778293248   8.764498248  14.141038274
O        3.331224693   5.782237494  11.825787763
O        0.784184378   7.514451510  11.826168698
O        6.117192680   4.424374147  11.821172334
O        1.751091386   6.017785355  14.140792988
K_POINTS Gamma 
