Silicon &control calculation = 'nscf' prefix = 'si' pseudo_dir = '../../pseudo/' outdir = './' iprint = 2 verbosity = 'high' / &system ibrav = 2 celldm(1) = 10.2 nat = 2 ntyp = 1 ecutwfc = 25.0 nbnd = 12 / &electrons conv_thr = 1.0d-12 diagonalization = 'cg' diago_full_acc = .true. / ATOMIC_SPECIES Si 28 Si.pbe-n-van.UPF ATOMIC_POSITIONS {crystal} Si -0.25 0.75 -0.25 Si 0.00 0.00 0.00 K_POINTS {crystal} 64 0.00000000 0.00000000 0.00000000 1.562500e-02 0.00000000 0.00000000 0.25000000 1.562500e-02 0.00000000 0.00000000 0.50000000 1.562500e-02 0.00000000 0.00000000 0.75000000 1.562500e-02 0.00000000 0.25000000 0.00000000 1.562500e-02 0.00000000 0.25000000 0.25000000 1.562500e-02 0.00000000 0.25000000 0.50000000 1.562500e-02 0.00000000 0.25000000 0.75000000 1.562500e-02 0.00000000 0.50000000 0.00000000 1.562500e-02 0.00000000 0.50000000 0.25000000 1.562500e-02 0.00000000 0.50000000 0.50000000 1.562500e-02 0.00000000 0.50000000 0.75000000 1.562500e-02 0.00000000 0.75000000 0.00000000 1.562500e-02 0.00000000 0.75000000 0.25000000 1.562500e-02 0.00000000 0.75000000 0.50000000 1.562500e-02 0.00000000 0.75000000 0.75000000 1.562500e-02 0.25000000 0.00000000 0.00000000 1.562500e-02 0.25000000 0.00000000 0.25000000 1.562500e-02 0.25000000 0.00000000 0.50000000 1.562500e-02 0.25000000 0.00000000 0.75000000 1.562500e-02 0.25000000 0.25000000 0.00000000 1.562500e-02 0.25000000 0.25000000 0.25000000 1.562500e-02 0.25000000 0.25000000 0.50000000 1.562500e-02 0.25000000 0.25000000 0.75000000 1.562500e-02 0.25000000 0.50000000 0.00000000 1.562500e-02 0.25000000 0.50000000 0.25000000 1.562500e-02 0.25000000 0.50000000 0.50000000 1.562500e-02 0.25000000 0.50000000 0.75000000 1.562500e-02 0.25000000 0.75000000 0.00000000 1.562500e-02 0.25000000 0.75000000 0.25000000 1.562500e-02 0.25000000 0.75000000 0.50000000 1.562500e-02 0.25000000 0.75000000 0.75000000 1.562500e-02 0.50000000 0.00000000 0.00000000 1.562500e-02 0.50000000 0.00000000 0.25000000 1.562500e-02 0.50000000 0.00000000 0.50000000 1.562500e-02 0.50000000 0.00000000 0.75000000 1.562500e-02 0.50000000 0.25000000 0.00000000 1.562500e-02 0.50000000 0.25000000 0.25000000 1.562500e-02 0.50000000 0.25000000 0.50000000 1.562500e-02 0.50000000 0.25000000 0.75000000 1.562500e-02 0.50000000 0.50000000 0.00000000 1.562500e-02 0.50000000 0.50000000 0.25000000 1.562500e-02 0.50000000 0.50000000 0.50000000 1.562500e-02 0.50000000 0.50000000 0.75000000 1.562500e-02 0.50000000 0.75000000 0.00000000 1.562500e-02 0.50000000 0.75000000 0.25000000 1.562500e-02 0.50000000 0.75000000 0.50000000 1.562500e-02 0.50000000 0.75000000 0.75000000 1.562500e-02 0.75000000 0.00000000 0.00000000 1.562500e-02 0.75000000 0.00000000 0.25000000 1.562500e-02 0.75000000 0.00000000 0.50000000 1.562500e-02 0.75000000 0.00000000 0.75000000 1.562500e-02 0.75000000 0.25000000 0.00000000 1.562500e-02 0.75000000 0.25000000 0.25000000 1.562500e-02 0.75000000 0.25000000 0.50000000 1.562500e-02 0.75000000 0.25000000 0.75000000 1.562500e-02 0.75000000 0.50000000 0.00000000 1.562500e-02 0.75000000 0.50000000 0.25000000 1.562500e-02 0.75000000 0.50000000 0.50000000 1.562500e-02 0.75000000 0.50000000 0.75000000 1.562500e-02 0.75000000 0.75000000 0.00000000 1.562500e-02 0.75000000 0.75000000 0.25000000 1.562500e-02 0.75000000 0.75000000 0.50000000 1.562500e-02 0.75000000 0.75000000 0.75000000 1.562500e-02