&CONTROL calculation = 'scf' title = 'graphene' restart_mode = 'from_scratch' outdir = '/scratch/Giovanni/bench_graph4x4' prefix = 'C' pseudo_dir = '/home/nm_settings/software/CODES/Quantum-ESPRESSO/pseudo/' / &SYSTEM ibrav = 4 celldm(1) = 18.6 celldm(3) = 1.36250 nat = 32 ntyp = 1 ecutwfc = 30.D0 ecutrho = 180.D0 occupations = 'smearing' smearing = 'mv' degauss = 0.007 nosym = .true. / &ELECTRONS / ATOMIC_SPECIES C 12.0107 C.pbe-rrkjus.UPF ATOMIC_POSITIONS { Angstrom } C 0.000000000 0.000000000 1.676333520 C 1.230336530 0.710335120 1.676333520 C 18.455047875 2.131005372 1.676333520 C 0.000000005 2.841340492 1.676333520 C 17.224711350 4.262010743 1.676333520 C 18.455047880 4.972345863 1.676333520 C 15.994374825 6.393016115 1.676333520 C 17.224711355 7.103351235 1.676333520 C 2.460673050 0.000000000 1.676333520 C 3.691009580 0.710335120 1.676333520 C 1.230336525 2.131005372 1.676333520 C 2.460673055 2.841340492 1.676333520 C 0.000000000 4.262010743 1.676333520 C 1.230336530 4.972345863 1.676333520 C 18.455047875 6.393016115 1.676333520 C 0.000000005 7.103351235 1.676333520 C 4.921346100 0.000000000 1.676333520 C 6.151682630 0.710335120 1.676333520 C 3.691009575 2.131005372 1.676333520 C 4.921346105 2.841340492 1.676333520 C 2.460673050 4.262010743 1.676333520 C 3.691009580 4.972345863 1.676333520 C 1.230336525 6.393016115 1.676333520 C 2.460673055 7.103351235 1.676333520 C 7.382019150 0.000000000 1.676333520 C 8.612355680 0.710335120 1.676333520 C 6.151682625 2.131005372 1.676333520 C 7.382019155 2.841340492 1.676333520 C 4.921346100 4.262010743 1.676333520 C 6.151682630 4.972345863 1.676333520 C 3.691009575 6.393016115 1.676333520 C 4.921346105 7.103351235 1.676333520 K_POINTS { crystal } 64 0.0000000 0.0000000 0.0000000 1.00 0.1250000 0.0721688 0.0000000 1.00 0.2500000 0.1443376 0.0000000 1.00 0.3750000 0.2165064 0.0000000 1.00 0.5000000 0.2886751 0.0000000 1.00 0.6250000 0.3608439 0.0000000 1.00 0.7500000 0.4330127 0.0000000 1.00 0.8750000 0.5051815 0.0000000 1.00 0.0000000 0.1443376 0.0000000 1.00 0.1250000 0.2165064 0.0000000 1.00 0.2500000 0.2886751 0.0000000 1.00 0.3750000 0.3608439 0.0000000 1.00 0.5000000 0.4330127 0.0000000 1.00 0.6250000 0.5051815 0.0000000 1.00 0.7500000 0.5773503 0.0000000 1.00 0.8750000 0.6495191 0.0000000 1.00 0.0000000 0.2886751 0.0000000 1.00 0.1250000 0.3608439 0.0000000 1.00 0.2500000 0.4330127 0.0000000 1.00 0.3750000 0.5051815 0.0000000 1.00 0.5000000 0.5773503 0.0000000 1.00 0.6250000 0.6495191 0.0000000 1.00 0.7500000 0.7216878 0.0000000 1.00 0.8750000 0.7938566 0.0000000 1.00 0.0000000 0.4330127 0.0000000 1.00 0.1250000 0.5051815 0.0000000 1.00 0.2500000 0.5773503 0.0000000 1.00 0.3750000 0.6495191 0.0000000 1.00 0.5000000 0.7216878 0.0000000 1.00 0.6250000 0.7938566 0.0000000 1.00 0.7500000 0.8660254 0.0000000 1.00 0.8750000 0.9381942 0.0000000 1.00 0.0000000 0.5773503 0.0000000 1.00 0.1250000 0.6495191 0.0000000 1.00 0.2500000 0.7216878 0.0000000 1.00 0.3750000 0.7938566 0.0000000 1.00 0.5000000 0.8660254 0.0000000 1.00 0.6250000 0.9381942 0.0000000 1.00 0.7500000 1.0103630 0.0000000 1.00 0.8750000 1.0825318 0.0000000 1.00 0.0000000 0.7216878 0.0000000 1.00 0.1250000 0.7938566 0.0000000 1.00 0.2500000 0.8660254 0.0000000 1.00 0.3750000 0.9381942 0.0000000 1.00 0.5000000 1.0103630 0.0000000 1.00 0.6250000 1.0825318 0.0000000 1.00 0.7500000 1.1547005 0.0000000 1.00 0.8750000 1.2268693 0.0000000 1.00 0.0000000 0.8660254 0.0000000 1.00 0.1250000 0.9381942 0.0000000 1.00 0.2500000 1.0103630 0.0000000 1.00 0.3750000 1.0825318 0.0000000 1.00 0.5000000 1.1547005 0.0000000 1.00 0.6250000 1.2268693 0.0000000 1.00 0.7500000 1.2990381 0.0000000 1.00 0.8750000 1.3712069 0.0000000 1.00 0.0000000 1.0103630 0.0000000 1.00 0.1250000 1.0825318 0.0000000 1.00 0.2500000 1.1547005 0.0000000 1.00 0.3750000 1.2268693 0.0000000 1.00 0.5000000 1.2990381 0.0000000 1.00 0.6250000 1.3712069 0.0000000 1.00 0.7500000 1.4433757 0.0000000 1.00 0.8750000 1.5155445 0.0000000 1.00