&CONTROL
                       title = 'Na3FePO4CO3 geom+U' ,
                 calculation = 'vc-relax' ,
                      outdir = '/path/to/your/inputfile' ,
                      wfcdir = '/path/to/your/inputfile' ,
                  pseudo_dir = '/share/apps/espresso/espresso-5.2.1/pseudo' ,
                      prefix = 'Na3FePO4CO3Geom' ,
                   verbosity = 'high' ,
 /
 &SYSTEM
                       ibrav = 12,
                           A = 8.997 ,
                           B = 5.163 ,
                           C = 6.741 ,
                       cosAB = -0.0027925231 ,
                         nat = 11,
                        ntyp = 5,
                     ecutwfc = 40 ,
                     ecutrho = 400 ,
                  lda_plus_u = .true. ,
             lda_plus_u_kind = 0 ,
                Hubbard_U(1) = 6.39,
                 space_group = 11 ,
                     uniqueb = .false. ,
 /
 &ELECTRONS
                    conv_thr = 1d-6 ,
                 startingpot = 'file' ,
                 startingwfc = 'atomic' ,
 /
 &IONS
                ion_dynamics = 'bfgs' ,
 /
 &CELL
               cell_dynamics = 'bfgs' ,
                 cell_dofree = 'all' ,
 /
ATOMIC_SPECIES
   Fe   55.93300  Fe.pbe-sp-van_mit.UPF 
    P   30.97400  P.pbe-van_ak.UPF 
    C   12.01100  C.pbe-van_ak.UPF 
    O   15.99900  O.pbe-van_ak.UPF 
   Na   22.99000  Na.pbe-sp-van_ak.UPF 
ATOMIC_POSITIONS crystal_sg 
   Fe      0.362400000    0.279900000    0.250000000    
    P      0.587500000    0.798900000    0.250000000    
   Na      0.740900000    0.251300000    0.002200000    
   Na      0.917800000    0.738500000    0.250000000    
    C      0.060500000    0.234500000    0.250000000    
    O      0.123300000    0.461600000    0.250000000    
    O      0.143000000    0.031700000    0.250000000    
    O      0.919500000    0.215700000    0.250000000    
    O      0.321000000    0.281700000    0.565500000    
    O      0.431600000    0.674000000    0.250000000    
    O      0.569400000    0.096500000    0.250000000    
K_POINTS automatic 
  6 12 10   1 1 1