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calculation = 'relax'
restart_mode='from_scratch',
prefix='nanotube',
tstress = .true.
tprnfor = .true.
pseudo_dir = '/home2/usr5/skizukur/espresso-4.2.1/pseudo/',
outdir='/work2/skizukur/Test3'
etot_conv_thr=1.0D-4,
forc_conv_thr=1.0D-4,
/
&system
ibrav = 6
celldm(1) =18.89725985,
celldm(3) =0.4253916784,
nat= 36,
ntyp= 1,
ecutwfc =65.0,
nosym=.true.
/
&electrons
conv_thr = 1.0d-8,
/
&ions
ion_dynamics='damp',
/
ATOMIC_SPECIES
C 12.0107 C.pz-tm1.UPF
ATOMIC_POSITIONS alat
K_POINTS AUTOMATIC
118001