 &control
    prefix='cnt33'
    calculation='nscf'
    restart_mode='from_scratch',
    tstress = .true.
 !  tprnfor = .true.
    pseudo_dir = '../pseudo',
    outdir='./work'
    wfcdir='./work'
    wf_collect=.true.
 /
 &system
    ibrav=  6,
    celldm(1) = 22.67672253329226326918
    !a_CC = 1.42/0.529177 = 2.6834 bohr
    !r=2.0340 Angstrom, T=2.4595 Angstrom
    celldm(3) = .20495833333333333333
    ntyp= 1,
    nat= 12 
    ecutwfc =30.0
    ecutrho =120.0
  ! nspin=2
    occupations='smearing'
    degauss=0.001
  ! starting_magnetization(1)=1
    nosym = .true.  ! for epsilon.x
 /
 &electrons
    conv_thr =  1.0d-8
    startingpot = 'atomic',
    startingwfc = 'atomic' ,
    mixing_beta = 0.5
/

ATOMIC_SPECIES
 C    12.0107   C.pz-vbc.UPF 

ATOMIC_POSITIONS {angstrom}
C    0.35320042   2.00309914   0.00000000
C   -1.01700009   1.76149582   0.00000000
C   -1.01700009  -1.76149582   0.00000000
C    1.55813453  -1.30743011   0.00000000
C   -1.91133495  -0.69566903   0.00000000
C    2.03400017   0.00000000   0.00000000
C   -0.35320042  -2.00309914   1.22975607
C    1.01700009   1.76149582   1.22975607
C    1.01700009  -1.76149582   1.22975607
C   -1.55813453   1.30743011   1.22975607
C    1.91133495   0.69566903   1.22975607
C   -2.03400017   0.00000000   1.22975607


K_POINTS crystal
41
        0    0    0.00000000   0.04878049
        0    0    0.01250000   0.04878049
        0    0    0.02500000   0.04878049
        0    0    0.03750000   0.04878049
        0    0    0.05000000   0.04878049
        0    0    0.06250000   0.04878049
        0    0    0.07500000   0.04878049
        0    0    0.08750000   0.04878049
        0    0    0.10000000   0.04878049
        0    0    0.11250000   0.04878049
        0    0    0.12500000   0.04878049
        0    0    0.13750000   0.04878049
        0    0    0.15000000   0.04878049
        0    0    0.16250000   0.04878049
        0    0    0.17500000   0.04878049
        0    0    0.18750000   0.04878049
        0    0    0.20000000   0.04878049
        0    0    0.21250000   0.04878049
        0    0    0.22500000   0.04878049
        0    0    0.23750000   0.04878049
        0    0    0.25000000   0.04878049
        0    0    0.26250000   0.04878049
        0    0    0.27500000   0.04878049
        0    0    0.28750000   0.04878049
        0    0    0.30000000   0.04878049
        0    0    0.31250000   0.04878049
        0    0    0.32500000   0.04878049
        0    0    0.33750000   0.04878049
        0    0    0.35000000   0.04878049
        0    0    0.36250000   0.04878049
        0    0    0.37500000   0.04878049
        0    0    0.38750000   0.04878049
        0    0    0.40000000   0.04878049
        0    0    0.41250000   0.04878049
        0    0    0.42500000   0.04878049
        0    0    0.43750000   0.04878049
        0    0    0.45000000   0.04878049
        0    0    0.46250000   0.04878049
        0    0    0.47500000   0.04878049
        0    0    0.48750000   0.04878049
        0    0    0.50000000   0.04878049
