&control calculation='nscf' pseudo_dir = '../../pseudo/', outdir='./' prefix='gh' / &system ibrav = 0, celldm(1) = 1.8897261249935, nat = 4, ntyp = 1, ecutwfc =40.0,nbnd=20,nosym=.true., occupations='smearing', smearing='cold', degauss=0.02 / &electrons startingwfc='random' diagonalization='cg' conv_thr = 1.0e-8 mixing_beta = 0.2 / CELL_PARAMETERS cubic 2.1304215583 -1.2299994602 0.0000000000 0.0000000000 2.4599989204 0.0000000000 0.0000000000 0.0000000000 6.8000000000 ATOMIC_SPECIES C 12 C.pz-vbc.UPF ATOMIC_POSITIONS crystal C 0.0000000000 0.0000000000 0.2500000000 C 0.0000000000 0.0000000000 0.7500000000 C 0.3333333333 0.6666666667 0.2500000000 C -0.3333333333 -0.6666666667 0.7500000000 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