<div dir="ltr"><div>Dear users,</div><div><br></div><div>while optimizing Hubbard_U, i encountered this error</div><div><br></div><div>Error in routine  read_namelists (1):  bad line in namelist &control: "/" (error could be in the previous line) ....</div><div>from hp code.</div><div>The scf calculation went on fine with no error. But the hp calculation showed this error. I searched the archive for a similar error for hp code but found none.</div><div>I will be grateful if someone can help me out of this. <br></div><div>My input files are</div><div><br></div><div>scf</div><div>&CONTROL<br>  calculation = 'scf'<br>  restart_mode = 'from_scratch'<br>  outdir = './cabout/'<br>  prefix = 'CaB'<br>  pseudo_dir = '/home/tatsue/work_station/pseudo/'<br>  verbosity = 'high'<br>/<br>&SYSTEM<br>  ecutwfc =   50<br>  ecutrho = 600<br>  ibrav = 0<br>  nat = 20<br>  nosym = .false.<br>  ntyp = 4<br>  nspin = 2<br>  starting_magnetization(1) =   0.5<br>  starting_magnetization(2) =  -0.5<br>  degauss =   1.4699723600d-02<br>  occupations = 'smearing'<br>  smearing = 'mv'<br>/<br>&ELECTRONS<br>  conv_thr =   4.0000000000d-09<br>  mixing_beta =   4.0000000000d-01<br>/<br>&IONS<br>  ion_dynamics = 'bfgs'<br>/<br>&CELL<br>  cell_dynamics = 'bfgs'<br>/<br>ATOMIC_SPECIES<br>Au1    196.966569 Au.pbe-n-rrkjus_psl.1.0.0.UPF<br>Au2    196.966569 Au.pbe-n-rrkjus_psl.1.0.0.UPF<br>Br     79.904 Br.pbe-n-rrkjus_psl.1.0.0.UPF<br>Cs     132.9054519 Cs.pbe-spn-rrkjus_psl.1.0.0.UPF<br>CELL_PARAMETERS (angstrom)<br>   7.942614625   0.000000000   0.000000000<br>   0.000000000   7.942614625   0.000000000<br>   0.000000000   0.000000000  11.783998251<br><br>ATOMIC_POSITIONS (crystal)<br>Au1           0.0000000000        0.0000000000        0.0000000000<br>Au1           0.5000000000        0.5000000000        0.0000000000<br>Au2           0.5000000000        0.5000000000        0.5000000000<br>Au2           0.0000000000        0.0000000000        0.5000000000<br>Cs            0.5000000000        0.0000000000        0.2500000076<br>Cs            0.0000000000        0.5000000000        0.2500000076<br>Cs            0.0000000000        0.5000000000        0.7499999924<br>Cs            0.5000000000        0.0000000000        0.7499999924<br>Br            0.0000000000        0.0000000000        0.2922779589<br>Br            0.7770764597        0.2229235403        0.0000000000<br>Br            0.5000000000        0.5000000000        0.2077220147<br>Br            0.7229234374        0.7229234374        0.5000000000<br>Br            0.2229235403        0.7770764597        0.0000000000<br>Br            0.7770764597        0.7770764597       -0.0000000000<br>Br            0.5000000000        0.5000000000        0.7922779853<br>Br            0.2770765626        0.7229234374        0.5000000000<br>Br            0.0000000000        0.0000000000        0.7077220411<br>Br            0.2229235403        0.2229235403       -0.0000000000<br>Br            0.7229234374        0.2770765626        0.5000000000<br>Br            0.2770765626        0.2770765626        0.5000000000<br>K_POINTS automatic<br>2 2 1 0 0 0<br>HUBBARD {ortho-atomic}<br>U Au1-5d 0.0001<br>U Au2-5d 0.0001</div><div>And hp.x</div><div>&INPUTHP<br> prefix = 'CaB'<br> outdir = './cabout/'<br> nq1 = 2, nq2 = 2, nq3 = 1,<br> conv_thr_chi = 1.0d-6<br>/</div><div><br></div><div>Thanks in anticipation.</div><div><br></div><div>Tersoo Atsue</div><div>Ph.D candidate, Department of Physics, University of Ibadan.<br></div></div>