Crystal Urea (space group: P-42_1m)
&control
    calculation = 'scf'
    pseudo_dir='/home/giannozz/Fisica/Bio',
    outdir='/scratch/tmp',
    prefix='urea',
    tprnfor=.true.
 /
 &system
    ibrav=6, a=5.565, c=4.684, nat=16, ntyp=4,
    ecutwfc=25.0, ecutrho=200.
 /
 &electrons
 /
ATOMIC_SPECIES
 C  12.0  C.pbe-rrkjus.UPF
 N  14.0  N.pbe-rrkjus.UPF
 O  16.0  O.pbe-rrkjus.UPF
 H   1.0  H.pbe-rrkjus.UPF
ATOMIC_POSITIONS {crystal}
 C  0.000000000000   0.5000000000000  0.3289215860923
 O  0.000000000000   0.5000000000000  0.5972642237549
 N  0.1451600351363  0.6451600351363  0.1798353015744
 N -0.1451600351363  0.3548399648637  0.1798353015744
 H  0.2577930289326  0.7577930289326  0.2834443993464
 H  0.1428947082865  0.6428947082865 -0.03563492869241
 H -0.2577930289326  0.2422069710674  0.2834443993464
 H -0.1428947082865  0.3571052917135 -0.03563492869241
 C  0.5000000000000 -0.000000000000   0.3289215860923
 O  0.5000000000000 -0.000000000000   0.5972642237549
 N  0.6451600351363 -0.1451600351363  0.1798353015744
 N  0.3548399648637  0.1451600351363  0.1798353015744
 H  0.7577930289326 -0.2577930289326  0.2834443993464
 H  0.6428947082865 -0.1428947082865 -0.03563492869241
 H  0.2422069710674  0.2577930289326  0.2834443993464
 H  0.3571052917135  0.1428947082865 -0.03563492869241
K_POINTS automatic
 2 2 2 0 0 0
 #K_POINTS gamma
