1 &CONTROL
2   calculation =   "vc-relax"   ,
3   dt = 150
4 /
5 &SYSTEM
6   ibrav = 14,
7   A = 3.70971016 ,
8   B = 3.70971016 ,
9   C = 3.70971016 ,
10   cosAB = 0.49517470 ,
11   cosAC = 0.49517470 ,
12   cosBC = 0.49517470 ,
13                         nat  =  2 ,
14                        ntyp  =  1 ,
15                     ecutwfc  =  25.0 ,
16                        nbnd  =  9 ,
17                 occupations  =  'smearing' ,
18                    smearing  =  'mp' ,
19                     degauss  =  0.005
20 /
21 &ELECTRONS
22                    conv_thr  =  1.0d-7
23 /
24 &IONS
25   ! ion_positions = 'from_file'
26 /
27 &CELL
28   cell_dynamics = 'damp-w' ,
29   press = 0.00 ,
30   wmass =  0.00700000
31 /
32ATOMIC_SPECIES
33   As   74.90000  As.pz-bhs.UPF
34ATOMIC_POSITIONS alat
35As    0.290010       0.290010       0.290010
36As   -0.290010      -0.290010      -0.290010
37K_POINTS gamma
38