&control

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

C 0.3305801862D+01 0.1203213478D+01 0.3544930653D+01

C 0.2694914370D+01 0.2261301654D+01 0.2835944522D+01
C 0.2694914370D+01 0.2261301654D+01 0.1417972261D+01
C 0.1758980431D+01 0.3046643476D+01 0.7089861306D+00
C 0.1758980431D+01 0.3046643476D+01 0.3544930653D+01
C 0.6108874928D+00 0.3464515132D+01 0.2835944522D+01
C 0.6108874928D+00 0.3464515132D+01 0.1417972261D+01
C -0.6108874928D+00 0.3464515132D+01 0.7089861306D+00
C -0.6108874928D+00 0.3464515132D+01 0.3544930653D+01
C -0.1758980431D+01 0.3046643476D+01 0.2835944522D+01
C -0.1758980431D+01 0.3046643476D+01 0.1417972261D+01
C -0.2694914370D+01 0.2261301654D+01 0.7089861306D+00
C -0.2694914370D+01 0.2261301654D+01 0.3544930653D+01
C -0.3305801862D+01 0.1203213478D+01 0.2835944522D+01
C -0.3305801862D+01 0.1203213478D+01 0.1417972261D+01
C -0.3517960862D+01 0.4308259509D-15 0.7089861306D+00
C -0.3517960862D+01 0.4308259509D-15 0.3544930653D+01
C -0.3305801862D+01 -0.1203213478D+01 0.2835944522D+01
C -0.3305801862D+01 -0.1203213478D+01 0.1417972261D+01
C -0.2694914370D+01 -0.2261301654D+01 0.7089861306D+00
C -0.2694914370D+01 -0.2261301654D+01 0.3544930653D+01
C -0.1758980431D+01 -0.3046643476D+01 0.2835944522D+01
C -0.1758980431D+01 -0.3046643476D+01 0.1417972261D+01
C -0.6108874928D+00 -0.3464515132D+01 0.7089861306D+00
C -0.6108874928D+00 -0.3464515132D+01 0.3544930653D+01
C 0.6108874928D+00 -0.3464515132D+01 0.2835944522D+01
C 0.6108874928D+00 -0.3464515132D+01 0.1417972261D+01
C 0.1758980431D+01 -0.3046643476D+01 0.7089861306D+00
C 0.1758980431D+01 -0.3046643476D+01 0.3544930653D+01
C 0.2694914370D+01 -0.2261301654D+01 0.2835944522D+01
C 0.2694914370D+01 -0.2261301654D+01 0.1417972261D+01
C 0.3305801862D+01 -0.1203213478D+01 0.7089861306D+00
C 0.3305801862D+01 -0.1203213478D+01 0.3544930653D+01
C 0.3517960862D+01 -0.8616519019D-15 0.2835944522D+01
C 0.3517960862D+01 -0.8616519019D-15 0.1417972261D+01
C 0.3305801862D+01 0.1203213478D+01 0.7089861306D+00

K_POINTS AUTOMATIC
118001