&CONTROL calculation = 'vc-relax', restart_mode = 'from_scratch', title = 'BN', prefix = 'BN', outdir = './tmp_2/', pseudo_dir = '.', forc_conv_thr = 1.0D-3, tprnfor = .true., tstress = .true. verbosity = 'high' wf_collect = .true. nstep=200, / &SYSTEM ibrav=2, celldm(1)=6.8313599403d0, nat=2, ntyp=2, ecutwfc = 40, ecutrho = 400, occupations='smearing', smearing='fd' degauss=0.005d0, / &ELECTRONS mixing_mode = 'plain' mixing_beta = 0.4, conv_thr = 1.0D-9, electron_maxstep=1000 / &ions / &cell / ATOMIC_SPECIES B 10.811000d0 B.pw91-n-rrkjus_psl.1.0.0.UPF N 14.006700d0 N.pw91-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS {crystal} B 0.0000000000d0 0.0000000000d0 0.0000000000d0 N 0.2500000000d0 0.2500000000d0 0.2500000000d0 K_POINTS {automatic} 9 9 9 0 0 0