 &CONTROL
        calculation='scf'
        title='sto'
        verbosity='high'
        !restart_mode='restart'
        nstep=100
        iprint=1
        tprnfor=.false.
        outdir='./'
        prefix='sto'
        pseudo_dir='/home/fiori/BIG/pot_semicore/conventional_sg230/QE/pseudo'
	wf_collect=.true.
/ 
 &SYSTEM
	ibrav=0
        celldm(1)=24.069452122
       nat=160
        ntyp=4
 !       nbnd=1300
	ecutwfc=50
	ecutrho=400
        nosym=.TRUE.
	occupations='smearing',
       !smearing='gaussian',
        degauss=0.0002,
      lspinorb=.true.,
      noncolin=.true.,
       lda_plus_u=.true.
       lda_plus_u_kind=1
       Hubbard_U(3)=4
       Hubbard_U(4)=4
       starting_magnetization(1)=0.0
       starting_magnetization(2)=0.0
       starting_magnetization(3)=-0.5
       starting_magnetization(4)=0.5
       !angle1(3)=0
       !angle2(3)=90
       !angle1(4)=0
       !angle2(4)=90
       report=1
/
 &ELECTRONS
	!diago_full_acc=.TRUE.
	conv_thr=1.0d-8
	electron_maxstep=200
!       diagonalization='cg'
        mixing_mode = 'plain'
        mixing_beta=0.05d0
!        mixing_ndim=4
!        mixing_fixed_ns=20
	startingpot='file'
/
ATOMIC_SPECIES
O   15.9994  O.pbe-n-rrkjus_psl.0.1.UPF
Bi  208.98040 Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF
Al  55.845   Fe.pbe-nd-rrkjus.UPF
Ge  55.845   Fe.pbe-nd-rrkjus.UPF
ATOMIC_POSITIONS (crystal)
O 0.447200000	    0.148690000     0.029920001
O 0.552800000	    0.851310015     0.970080018
O 0.052800000	    0.851310015     0.529919982
O 0.947200000	    0.148690000     0.470079988
O 0.552800000	    0.648689985     0.470079988
O 0.447200000	    0.351310015     0.529919982
O 0.947200000	    0.351310015     0.970080018
O 0.052800000	    0.648689985     0.029920001
O 0.029920001	    0.447200000     0.148690000
O 0.970080018	    0.552800000     0.851310015
O 0.529919982	    0.052800000     0.851310015
O 0.470079988	    0.947200000     0.148690000
O 0.470079988	    0.552800000     0.648689985
O 0.529919982	    0.447200000     0.351310015
O 0.970080018	    0.947200000     0.351310015
O 0.029920001	    0.052800000     0.648689985
O 0.148690000	    0.029920001     0.447200000
O 0.851310015	    0.970080018     0.552800000
O 0.851310015	    0.529919982     0.052800000
O 0.148690000	    0.470079988     0.947200000
O 0.648689985	    0.470079988     0.552800000
O 0.351310015	    0.529919982     0.447200000
O 0.351310015	    0.970080018     0.947200000
O 0.648689985	    0.029920001     0.052800000
O 0.898689985	    0.697200000     0.220080003
O 0.101310000	    0.302800000     0.779919982
O 0.601310015	    0.302800000     0.720080018
O 0.398689985	    0.697200000     0.279920012
O 0.398689985	    0.802800000     0.779919982
O 0.601310015	    0.197200000     0.220080003
O 0.101310000	    0.197200000     0.279920012
O 0.898689985	    0.802800000     0.720080018
O 0.197200000	    0.279920012     0.101310000
O 0.802800000	    0.720080018     0.898689985
O 0.802800000	    0.779919982     0.398689985
O 0.197200000	    0.220080003     0.601310015
O 0.302800000	    0.720080018     0.601310015
O 0.697200000	    0.279920012     0.398689985
O 0.697200000	    0.220080003     0.898689985
O 0.302800000	    0.779919982     0.101310000
O 0.779919982	    0.398689985     0.802800000
O 0.220080003	    0.601310015     0.197200000
O 0.279920012	    0.101310000     0.197200000
O 0.720080018	    0.898689985     0.802800000
O 0.220080003	    0.898689985     0.697200000
O 0.779919982	    0.101310000     0.302800000
O 0.720080018	    0.601310015     0.302800000
O 0.279920012	    0.398689985     0.697200000
O 0.947200000	    0.648689985     0.529919982
O 0.052800000	    0.351310015     0.470079988
O 0.552800000	    0.351310015     0.029920001
O 0.447200000	    0.648689985     0.970080018
O 0.052800000	    0.148690000     0.970080018
O 0.947200000	    0.851310015     0.029920001
O 0.447200000	    0.851310015     0.470079988
O 0.552800000	    0.148690000     0.529919982
O 0.529919982	    0.947200000     0.648689985
O 0.470079988	    0.052800000     0.351310015
O 0.029920001	    0.552800000     0.351310015
O 0.970080018	    0.447200000     0.648689985
O 0.970080018	    0.052800000     0.148690000
O 0.029920001	    0.947200000     0.851310015
O 0.470079988	    0.447200000     0.851310015
O  0.529919982       0.552800000      0.148690000
O  0.648689985       0.529919982      0.947200000
O  0.351310015       0.470079988      0.052800000
O  0.351310015       0.029920001      0.552800000
O  0.648689985       0.970080018      0.447200000
O  0.148690000       0.970080018      0.052800000
O  0.851310015       0.029920001      0.947200000
O  0.851310015       0.470079988      0.447200000
O  0.148690000       0.529919982      0.552800000
O  0.398689985       0.197200000      0.720080018
O  0.601310015       0.802800000      0.279920012
O  0.101310000       0.802800000      0.220080003
O  0.898689985       0.197200000      0.779919982
O  0.898689985       0.302800000      0.279920012
O  0.101310000       0.697200000      0.720080018
O  0.601310015       0.697200000      0.779919982
O  0.398689985       0.302800000      0.220080003
O  0.697200000       0.779919982      0.601310015
O  0.302800000       0.220080003      0.398689985
O  0.302800000       0.279920012      0.898689985
O  0.697200000       0.720080018      0.101310000
O  0.802800000       0.220080003      0.101310000
O  0.197200000       0.779919982      0.898689985
O  0.197200000       0.720080018      0.398689985
O  0.802800000       0.279920012      0.601310015
O  0.279920012       0.898689985      0.302800000
O  0.720080018       0.101310000      0.697200000
O  0.779919982       0.601310015      0.697200000
O  0.220080003       0.398689985      0.302800000
O  0.720080018       0.398689985      0.197200000
O  0.279920012       0.601310015      0.802800000
O  0.220080003       0.101310000      0.802800000
O  0.779919982       0.898689985      0.197200000
Bi 0.250000000       0.125000000      0.000000000
Bi 0.750000000       0.875000000      0.000000000
Bi 0.250000000       0.875000000      0.500000000
Bi 0.750000000       0.125000000      0.500000000
Bi 0.750000000       0.625000000      0.500000000
Bi 0.250000000       0.375000000      0.500000000
Bi 0.750000000       0.375000000      0.000000000
Bi 0.250000000       0.625000000      0.000000000
Bi 0.000000000       0.250000000      0.125000000
Bi 0.000000000       0.750000000      0.875000000
Bi 0.500000000       0.250000000      0.875000000
Bi 0.500000000       0.750000000      0.125000000
Bi 0.500000000       0.750000000      0.625000000
Bi 0.500000000       0.250000000      0.375000000
Bi 0.000000000       0.750000000      0.375000000
Bi 0.000000000       0.250000000      0.625000000
Bi 0.125000000       0.000000000      0.250000000
Bi 0.875000000       0.000000000      0.750000000
Bi 0.875000000       0.500000000      0.250000000
Bi 0.125000000       0.500000000      0.750000000
Bi 0.625000000       0.500000000      0.750000000
Bi 0.375000000       0.500000000      0.250000000
Bi 0.375000000       0.000000000      0.750000000
Bi 0.625000000       0.000000000      0.250000000
Al 0.500000000       0.000000000      0.000000000
Al 0.000000000       0.000000000      0.500000000
Al 0.500000000       0.500000000      0.500000000
Al 0.000000000       0.500000000      0.000000000
Al 0.750000000       0.750000000      0.250000000
Al 0.250000000       0.250000000      0.750000000
Al 0.750000000       0.250000000      0.750000000
Al 0.250000000       0.750000000      0.250000000
Al 0.250000000       0.750000000      0.750000000
Al 0.750000000       0.250000000      0.250000000
Al 0.250000000       0.250000000      0.250000000
Al 0.750000000       0.750000000      0.750000000
Al 0.000000000       0.500000000      0.500000000
Al 0.500000000       0.500000000      0.000000000
Al 0.000000000       0.000000000      0.000000000
Al 0.500000000       0.000000000      0.500000000
Ge 0.250000000       0.375000000      0.000000000
Ge 0.750000000       0.625000000      0.000000000
Ge 0.250000000       0.625000000      0.500000000
Ge 0.750000000       0.375000000      0.500000000
Ge 0.750000000       0.875000000      0.500000000
Ge 0.250000000       0.125000000      0.500000000
Ge 0.750000000       0.125000000      0.000000000
Ge 0.250000000       0.875000000      0.000000000
Ge 0.000000000       0.250000000      0.375000000
Ge 0.000000000       0.750000000      0.625000000
Ge 0.500000000       0.250000000      0.625000000
Ge 0.500000000       0.750000000      0.375000000
Ge 0.500000000       0.750000000      0.875000000
Ge 0.500000000       0.250000000      0.125000000
Ge 0.000000000       0.750000000      0.125000000
Ge 0.000000000       0.250000000      0.875000000
Ge 0.375000000       0.000000000      0.250000000
Ge 0.625000000       0.000000000      0.750000000
Ge 0.625000000       0.500000000      0.250000000
Ge 0.375000000       0.500000000      0.750000000
Ge 0.875000000       0.500000000      0.750000000
Ge 0.125000000       0.500000000      0.250000000
Ge 0.125000000       0.000000000      0.750000000
Ge 0.875000000       0.000000000      0.250000000
K_POINTS {automatic} 
2 2 2 0 0 0
CELL_PARAMETERS (alat)
1    0.0    0.0
0.0  1      0.0
0.0  0.0    1
