&control
  calculation ='scf'
  restart_mode ='from_scratch',
  wf_collect=.true.
  disk_io='high'
  etot_conv_thr=5.0d-6
  verbosity    ='high',
  nstep=200
 /
&system
  ibrav= 6
  celldm(1)=22.577342845,
  celldm(3)=1.029,
  nat=  134, 
  ntyp= 4,
  input_dft='wc'
  nbnd=576
  ecutwfc = 60.0,
  occupations='smearing', smearing='gauss', degauss=0.002,
  nspin=2, 
  report=5
  starting_magnetization(1)= 0.0,
  starting_magnetization(2)= 0.0,
  starting_magnetization(3)= 0.0,
  starting_magnetization(4)= 1.0,
  lda_plus_u = .true.,
  Hubbard_U(4)=4.6,
  Hubbard_J0(4)=1.0,
  tot_magnetization=5
  starting_ns_eigenvalue(1,1,4)=1.d0,
  starting_ns_eigenvalue(2,1,4)=1.d0,
  starting_ns_eigenvalue(3,1,4)=1.d0,
  starting_ns_eigenvalue(4,1,4)=1.d0,
  starting_ns_eigenvalue(5,1,4)=1.d0,
  starting_ns_eigenvalue(1,2,4)=0.d0,
  starting_ns_eigenvalue(2,2,4)=0.d0,
  starting_ns_eigenvalue(3,2,4)=0.d0,
  starting_ns_eigenvalue(4,2,4)=0.d0,
  starting_ns_eigenvalue(5,2,4)=0.d0,
/
&electrons
    mixing_beta = 0.1,
    conv_thr =  1.0d-2
    electron_maxstep=100,
    mixing_fixed_ns=10
/
&ions
bfgs_ndim=4
upscale=1
/
&cell
/
ATOMIC_SPECIES
Ba 137.327   bawc.upf !A
Ti 47.88     tiwc.upf !B
O  15.9994   owc.upf  !O
Mn 54.93805  mnwc.upf !B


!CELL_PARAMETERS (alat=  1.00000000)
!  22.4567357555389  0.00000000000000  0.00000000000000
!  0.0  22.4567357555389  0.00000000000000
!  0.0 0.0  23.2271150898163


ATOMIC_POSITIONS (crystal)
Ba  0.1677580  0.1677580  0.1673302  
Ba  0.1709082  0.1709082  0.5000320  
Ba  0.1703101  0.1703101  0.8343963  
Ba  0.1656027  0.5000000  0.1681871  
Ba  0.1667774  0.5000000  0.5001492  
Ba  0.1665132  0.5000000  0.8343257  
Ba  0.1677580  0.8322420  0.1673302  
Ba  0.1709082  0.8290918  0.5000320  
Ba  0.1703101  0.8296899  0.8343963  
Ba  0.5000000  0.1656027  0.1681871  
Ba  0.5000000  0.1667774  0.5001492  
Ba  0.5000000  0.1665132  0.8343257  
Ba  0.5000000  0.5000000  0.1667965  
Ba  0.5000000  0.5000000  0.5015061  
Ba  0.5000000  0.5000000  0.8345330  
Ba  0.5000000  0.8343973  0.1681871  
Ba  0.5000000  0.8332226  0.5001492  
Ba  0.5000000  0.8334868  0.8343257  
Ba  0.8322420  0.1677580  0.1673302  
Ba  0.8290918  0.1709082  0.5000320  
Ba  0.8296899  0.1703101  0.8343963  
Ba  0.8343973  0.5000000  0.1681871  
Ba  0.8332226  0.5000000  0.5001492  
Ba  0.8334868  0.5000000  0.8343257  
Ba  0.8322420  0.8322420  0.1673302  
Ba  0.8290918  0.8290918  0.5000320  
Ba  0.8296899  0.8296899  0.8343963  
Mn  0.0000000  0.0000000  0.3142332  
Ti  0.0000000  0.0000000  0.0032857  
Ti  0.0000000  0.0000000  0.6864789  
Ti  0.0000000  0.3320092  0.0107102  
Ti  0.0000000  0.3303774  0.3435197  
Ti  0.0000000  0.3331564  0.6722692  
Ti  0.0000000  0.6679908  0.0107102  
Ti  0.0000000  0.6696226  0.3435197  
Ti  0.0000000  0.6668436  0.6722692  
Ti  0.3320092  0.0000000  0.0107102  
Ti  0.3303774  0.0000000  0.3435197  
Ti  0.3331564  0.0000000  0.6722692  
Ti  0.3333809  0.3333809  0.0092689  
Ti  0.3325895  0.3325895  0.3405118  
Ti  0.3333812  0.3333812  0.6746862  
Ti  0.3333809  0.6666191  0.0092689  
Ti  0.3325895  0.6674105  0.3405118  
Ti  0.3333812  0.6666188  0.6746862  
Ti  0.6679908  0.0000000  0.0107102  
Ti  0.6696226  0.0000000  0.3435197  
Ti  0.6668436  0.0000000  0.6722692  
Ti  0.6666191  0.3333809  0.0092689  
Ti  0.6674105  0.3325895  0.3405118  
Ti  0.6666188  0.3333812  0.6746862  
Ti  0.6666191  0.6666191  0.0092689  
Ti  0.6674105  0.6674105  0.3405118  
Ti  0.6666188  0.6666188  0.6746862  
O   0.1667471  0.0000000  0.9914502  
O   0.1793912  0.0000000  0.3343302  
O   0.1606605  0.0000000  0.6524063  
O   0.1667433  0.3333927  0.9930090  
O   0.1676832  0.3332594  0.3256384  
O   0.1667143  0.3329399  0.6587745  
O   0.1667433  0.6666073  0.9930090  
O   0.1676832  0.6667406  0.3256384  
O   0.1667143  0.6670601  0.6587745  
O   0.5000000  0.0000000  0.9925784  
O   0.5000000  0.0000000  0.3263302  
O   0.5000000  0.0000000  0.6591895  
O   0.5000000  0.3333956  0.9929966  
O   0.5000000  0.3335948  0.3260909  
O   0.5000000  0.3330579  0.6589398  
O   0.5000000  0.6666044  0.9929966  
O   0.5000000  0.6664052  0.3260909  
O   0.5000000  0.6669421  0.6589398  
O   0.8332529  0.0000000  0.9914502  
O   0.8206088  0.0000000  0.3343302  
O   0.8393395  0.0000000  0.6524063  
O   0.8332567  0.3333927  0.9930090  
O   0.8323168  0.3332594  0.3256384  
O   0.8332857  0.3329399  0.6587745  
O   0.8332567  0.6666073  0.9930090  
O   0.8323168  0.6667406  0.3256384  
O   0.8332857  0.6670601  0.6587745  
O   0.0000000  0.1667471  0.9914502  
O   0.0000000  0.1793912  0.3343302  
O   0.0000000  0.1606605  0.6524063  
O   0.0000000  0.5000000  0.9925784  
O   0.0000000  0.5000000  0.3263302  
O   0.0000000  0.5000000  0.6591895  
O   0.0000000  0.8332529  0.9914502  
O   0.0000000  0.8206088  0.3343302  
O   0.0000000  0.8393395  0.6524063  
O   0.3333927  0.1667433  0.9930090  
O   0.3332594  0.1676832  0.3256384  
O   0.3329399  0.1667143  0.6587745  
O   0.3333956  0.5000000  0.9929966  
O   0.3335948  0.5000000  0.3260909  
O   0.3330579  0.5000000  0.6589398  
O   0.3333927  0.8332567  0.9930090  
O   0.3332594  0.8323168  0.3256384  
O   0.3329399  0.8332857  0.6587745  
O   0.6666073  0.1667433  0.9930090  
O   0.6667406  0.1676832  0.3256384  
O   0.6670601  0.1667143  0.6587745  
O   0.6666044  0.5000000  0.9929966  
O   0.6664052  0.5000000  0.3260909  
O   0.6669421  0.5000000  0.6589398  
O   0.6666073  0.8332567  0.9930090  
O   0.6667406  0.8323168  0.3256384  
O   0.6670601  0.8332857  0.6587745  
O   0.0000000  0.0000000  0.1603783  
O   0.0000000  0.0000000  0.8400023  
O   0.0000000  0.3309429  0.1584383  
O   0.0000000  0.3349267  0.4948248  
O   0.0000000  0.3303519  0.8221652  
O   0.0000000  0.6690571  0.1584383  
O   0.0000000  0.6650733  0.4948248  
O   0.0000000  0.6696481  0.8221652  
O   0.3309429  0.0000000  0.1584383  
O   0.3349267  0.0000000  0.4948248  
O   0.3303519  0.0000000  0.8221652  
O   0.3333026  0.3333026  0.1593834  
O   0.3330771  0.3330771  0.4915316  
O   0.3334442  0.3334442  0.8254829  
O   0.3333026  0.6666974  0.1593834  
O   0.3330771  0.6669229  0.4915316  
O   0.3334442  0.6665558  0.8254829  
O   0.6690571  0.0000000  0.1584383  
O   0.6650733  0.0000000  0.4948248  
O   0.6696481  0.0000000  0.8221652  
O   0.6666974  0.3333026  0.1593834  
O   0.6669229  0.3330771  0.4915316  
O   0.6665558  0.3334442  0.8254829  
O   0.6666974  0.6666974  0.1593834  
O   0.6669229  0.6669229  0.4915316  
O   0.6665558  0.6665558  0.8254829  

K_POINTS automatic
2 2 2 1 1 1
