 &CONTROL
                 calculation = 'relax' ,
                restart_mode = 'restart' ,
                  wf_collect = .true. ,
                      prefix = 'Fe.USPP.001_2x2_145_full_D2_OH1' ,
                   verbosity = 'high' ,
               etot_conv_thr = 1.0D-9 ,
               forc_conv_thr = 1.0D-5 ,
                     tstress = .true. ,
                     tprnfor = .true. ,
                    dipfield = .true. ,
                       nstep = 200 ,
 /
&SYSTEM
                      ibrav = 14,
                          A = 10.2303958458 ,
                          B = 10.2303958458 ,
                          C = 28.3547901948 ,
                      cosAB = -0.5 ,
                      cosAC = 0 ,
                      cosBC = 0 ,
                        nat = 124 ,
                       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,
    starting_magnetization(4) = 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 = 'file' ,
                startingwfc = 'file' ,
               adaptive_thr = .true. ,
                mixing_beta = 0.214,
            diagonalization = 'cg' ,
/
&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
   H    1.00790  H.pbe-van_ak.UPF
ATOMIC_POSITIONS angstrom
Fe2  -0.0000243074   2.9532844935  13.5273224084
Fe1  -0.0000233202   0.0000246036  14.6952562165
Fe2  -0.0000260364   2.9532854681   3.8275171249
Fe1   2.5575728381   1.4766564490   2.6596020877
Fe2  -0.0000256578   0.0000255516   4.2241965283
Fe1   2.5575739225   1.4766548542   6.0781480302
Fe2  -0.0000242921   0.0000250820   8.3386290209
Fe1  -0.0000247473   2.9532847062   6.6916381686
Fe2   2.5575749149   1.4766548365   9.0161755226
Fe1  -0.0000239596   2.9532844581  10.6631793047
Fe2   2.5575741527   1.4766546150  13.1306299051
Fe1  -0.0000248189   0.0000247542  11.2766722503
O   1.6044443413  -0.0478591860   2.9129478848
O  -0.7607907325   1.4134798931   2.9129477147
O   3.4012722689   2.8422230583  14.4418846165
O   3.3183415497   0.0632068829  14.4418853537
O   0.9531080462   1.5245342937  14.4418838226
O   1.7138678676   3.0643475324   2.9129482251
O   4.1158740890   1.4843071867   7.5307941864
O   1.7717974175   2.8223550049   7.5307945550
O   0.7998131452   4.3244442545   5.2121791557
O   0.7875151761   1.5750250376   5.2121784184
O  -1.5874046503   2.9603852339   5.2121779648
O   1.7850518366   0.1233020344   7.5307942147
O   1.5873468281   2.9461873148  12.1426529770
O  -0.7875634073   4.3315358427  12.1426537426
O   0.7724865507   1.3533777424   9.8239989868
O  -1.7718400834   3.0842241443   9.8239991286
O   3.5568793417  -0.0076377316   9.8239998091
O  -0.7998559799   1.5821298181  12.1426530338
Fe2   5.1151736103   2.9532847328  13.5273237694
Fe1   5.1151737894   0.0000240100  14.6952461222
Fe2   5.1151720809   2.9532854327   3.8275165862
Fe1   7.6727711140   1.4766562275   2.6596011236
Fe2   5.1151723725   0.0000255605   4.2241961597
Fe1   7.6727717431   1.4766550314   6.0781477750
Fe2   5.1151734876   0.0000250466   8.3386287090
Fe1   5.1151731397   2.9532847505   6.6916377433
Fe2   7.6727727150   1.4766546416   9.0161754659
Fe1   5.1151745362   2.9532849720  10.6631804389
Fe2   7.6727729247   1.4766548099  13.1306297917
Fe1   5.1151736666   0.0000251618  11.2766716548
O   6.7196423614  -0.0478593366   2.9129471760
O   4.3544069960   1.4134798577   2.9129476863
O   8.5164709591   2.8422225445  14.4418845314
O   8.4335420506   0.0632062627  14.4418838226
O   6.0683070944   1.5245344886  14.4418839927
O   6.8290658058   3.0643472223   2.9129469491
O   9.2310719249   1.4843071424   7.5307942147
O   6.8869951972   2.8223550049   7.5307942998
O   5.9150110988   4.3244442013   5.2121784751
O   5.9027133752   1.5750250731   5.2121777379
O   3.5277936051   2.9603851365   5.2121782200
O   6.9002496162   0.1233022116   7.5307941013
O   6.7025452471   2.9461882450  12.1426537710
O   4.3276348634   4.3315352048  12.1426534874
O   5.8876846270   1.3533780791   9.8239992987
O   3.3433581720   3.0842237634   9.8239997241
O   8.6720770293  -0.0076381214   9.8239996390
O   4.3153425364   1.5821289144  12.1426550186
Fe2  -2.5576234837   7.3831726052  13.5273248186
Fe1  -2.5576227931   4.4299131405  14.6952597325
Fe2  -2.5576246858   7.3831744923   3.8275158206
Fe1  -0.0000259545   5.9065450125   2.6596005565
Fe2  -2.5576248648   4.4299151340   4.2241960746
Fe1  -0.0000252179   5.9065444809   6.0781477183
Fe2  -2.5576236678   4.4299143898   8.3386291343
Fe1  -2.5576238264   7.3831738899   6.6916372045
Fe2  -0.0000246450   5.9065443037   9.0161753525
Fe1  -2.5576236576   7.3831741822  10.6631814596
Fe2  -0.0000233253   5.9065431874  13.1306299051
Fe1  -2.5576225885   4.4299146644  11.2766724771
O  -0.9531547019   4.3820298117   2.9129477998
O  -3.3183902106   5.8433691654   2.9129469491
O   0.8436747090   7.2721100359  14.4418845314
O   0.7607445832   4.4930953135  14.4418848717
O  -1.6044904958   5.9544218206  14.4418846449
O  -0.8437307665   7.4942362465   2.9129467790
O   1.5582750201   5.9141967603   7.5307941580
O  -0.7858017485   7.2522443924   7.5307940446
O  -1.7577857651   8.7543336420   5.2121780782
O  -1.7700836216   6.0049144428   5.2121774827
O  -4.1450032127   7.3902743733   5.2121778230
O  -0.7725474369   4.5531917851   7.5307944132
O  -0.9702513763   7.3760782438  12.1426559259
O  -3.3451638010   8.7614246809  12.1426547918
O  -1.7851121499   5.7832678652   9.8240000643
O  -4.3294391676   7.5141133546   9.8239996673
O   0.9992806974   4.4222516736   9.8239990152
O  -3.3574543940   6.0120191613  12.1426540262
Fe2   2.5575758407   7.3831724457  13.5273237978
Fe1   2.5575739328   4.4299127330  14.6952635888
Fe2   2.5575732115   7.3831746784   3.8275157922
Fe1   5.1151717280   5.9065451100   2.6595987701
Fe2   2.5575732934   4.4299152935   4.2241971237
Fe1   5.1151729556   5.9065442772   6.0781476332
Fe2   2.5575743727   4.4299146290   8.3386292194
Fe1   2.5575743266   7.3831738456   6.6916373747
Fe2   5.1151735285   5.9065444543   9.0161752107
Fe1   2.5575742499   7.3831732520  10.6631806090
Fe2   5.1151739224   5.9065429216  13.1306302170
Fe1   2.5575752474   4.4299137342  11.2766726189
O   4.1620432874   4.3820300509   2.9129477430
O   1.7968079169   5.8433688465   2.9129477714
O   5.9588710667   7.2721108865  14.4418853821
O   5.8759428692   4.4930958717  14.4418850985
O   3.5107067212   5.9544204030  14.4418839360
O   4.2714669415   7.4942361933   2.9129465238
O   6.6734730095   5.9141965388   7.5307939596
O   4.3293963585   7.2522444455   7.5307941864
O   3.3574120043   8.7543336243   5.2121781632
O   3.3451144035   6.0049146732   5.2121778230
O   0.9701946488   7.3902744442   5.2121777663
O   4.3426505269   4.5531916611   7.5307942715
O   4.1449461067   7.3760766136  12.1426542530
O   1.7700343418   8.7614249201  12.1426549902
O   3.3300857679   5.7832671299   9.8239994405
O   0.7857585353   7.5141133812   9.8239994405
O   6.1144788607   4.4222520014   9.8239991570
O   1.7577435289   6.0120188778  12.1426529770
O  -2.5576227931   4.4299131405  16.6952597325
O  -0.0000259545   5.9065450125   0.6596005565
H  -2.5576227931   5.1370131405  17.4023597325
H  -0.0000259545   6.6136450125  -0.0474994435
K_POINTS gamma 
