 &CONTROL
                       title = 'c12h2' ,
                 calculation = 'relax' ,
                restart_mode = 'from_scratch' ,
                      outdir = '/localdisk1/manini' ,
                      wfcdir = '/localdisk1/manini' ,
                  pseudo_dir = '/users/manini/psps/'   ,
                      prefix = 'c12h2'         ,
               forc_conv_thr = 2D-6           ,
               etot_conv_thr = 1D-6           ,
                       nstep = 400            ,
                  wf_collect = .true.         , 
/
 &SYSTEM
                       ibrav = 8          ,
                           a = 12         ,
                           b = 12         , 
                           c = 27         ,
                         nat = 14         ,
                        ntyp = 2          ,
                     ecutwfc = 30         ,
                     ecutrho = 240        ,
                       nspin = 1          ,
 /
 &ELECTRONS
    conv_thr =  1.0d-11
 /
 &IONS
   ion_dynamics = 'damp'
!   trust_radius_min  = 1.e-6
!   upscale = 50.
 /
 &CELL
 /
 &PHONON
 /

ATOMIC_SPECIES
C 12.0 C.pz-rrkjus.UPF
H  1.0 H.pz-rrkjus.UPF

ATOMIC_POSITIONS angstrom
H       -0.547932300   0.000000000  -7.990109412
C       -0.382862100   0.000000000  -6.931183677
C       -0.200000000   0.000000000  -5.732356688    0   1   1
C        0.000000000   0.000000000  -4.419053758    0   1   1
C        0.135353202   0.000000000  -3.198201785
C        0.236837993   0.000000000  -1.888027168
C        0.284245261   0.000000000  -0.655478323
C        0.284245261   0.000000000   0.655478323
C        0.236837993   0.000000000   1.888027168
C        0.135353202   0.000000000   3.198201785
C        0.000000000   0.000000000   4.419053758    0   1   1
C       -0.200000000   0.000000000   5.732356688    0   1   1
C       -0.382862100   0.000000000   6.931183677
H       -0.547932300   0.000000000   7.990109412

K_POINTS
 1
 0.0 0.0 0.0  1.0

