Dear all,<br>I try to optimization Au13 with the norm-conserving pseudo-potential.<br>At the step 18, there is error<br> "forrtl: severe (67): input statement requires too much data, unit 16, file /home/gaomin/PWscf/outdir/iso0-free.igk2<br>
Image              PC                Routine            Line        Source             <br>pw.x               00000000009AA73D  Unknown               Unknown  Unknown<br>pw.x               00000000009A9245  Unknown               Unknown  Unknown<br>
pw.x               0000000000941C09  Unknown               Unknown  Unknown<br>pw.x               00000000008DA91D  Unknown               Unknown  Unknown<br>pw.x               00000000008DA16A  Unknown               Unknown  Unknown<br>
pw.x               0000000000900107  Unknown               Unknown  Unknown<br>pw.x               00000000008FDDEA  Unknown               Unknown  Unknown<br>pw.x               0000000000536B61  c_bands_                   91  c_bands.f90<br>
pw.x               0000000000444EEA  electrons_                272  electrons.f90<br>pw.x               0000000000406121  MAIN__                     92  pwscf.f90<br>pw.x               0000000000405F7C  Unknown    forrtl: severe (67): input statement requires too much data, unit 16, file /home/gaomin/PWscf/outdir/iso0-free.igk4<br>
Image              PC                Routine            Line        Source<br>pw.x               00000000009AA73D  Unknown               Unknown  Unknown<br>pw.x               00000000009A9245  Unknown               Unknown  Unknown<br>
pw.x               0000000000941C09  Unknown               Unknown  Unknown<br>pw.x               00000000008DA91D  Unknown               Unknown  Unknown<br>pw.x               00000000008DA16A  Unknown               Unknown  Unknown<br>
pw.x               0000000000900107  Unknown               Unknown  Unknown<br>pw.x               00000000008FDDEA  Unknown               Unknown  Unknown<br>pw.x               0000000000536B61  c_bands_                   91  c_bands.f90<br>
pw.x               0000000000444EEA  electrons_                272  electrons.f90<br>pw.x               0000000000406121  MAIN__                     92  pwscf.f90<br>pw.x               0000000000405F7C  Unknown               Unknown  Unknown<br>
libc.so.6          000000336601D8B4  Unknown               Unknown  Unknown<br>pw.x               0000000000405E89  Unknown               Unknown  Unknown<br>           Unknown  Unknown<br>libc.so.6          000000336601D8B4  Unknown               Unknown  Unknown<br>
pw.x               0000000000405E89  Unknown               Unknown  Unknown<br>"<br>what kind of mistake can cause this error, could you give me some tips.<br>I also put the input here "/<br>&SYSTEM<br>  ibrav                  = 0,<br>
  celldm(1)              = 1.D0,<br>  nat                    = 13,<br>  ntyp                   = 1,<br>  ecutwfc                = 40.0D0,<br>  ecutrho                = 160.0D0,<br>  nspin                  = 2,<br>  occupations            ='smearing',<br>
  smearing               ='marzari-vanderbilt',<br>  degauss                =0.05 ,<br>  starting_magnetization (1) = 0.0,<br>/<br>&ELECTRONS<br>  conv_thr    = 1.0D-7,<br>  mixing_beta = 0.1D0,<br>  electron_maxstep  = 800,<br>
  diagonalization   = "cg"<br>/<br>&IONS<br>  ds = 1.D-8,<br>  ion_dynamics    = "bfgs",<br>  bfgs_ndim       = 3,<br>/<br>ATOMIC_SPECIES<br>Au  196.96655   Au.UPF<br>ATOMIC_POSITIONS { angstrom }<br>
  Au    0.39451550    0.29101807   -0.01848388<br>  Au    0.36978342   -2.46363059    0.01426611<br>  Au   -3.81426759   -3.77141705    5.81951444<br>  Au   -1.02666807   -1.03984004    1.94923625<br>  Au   -0.98003083    1.73499813    1.88476660<br>
  Au   -0.99550379   -3.88019265    1.90581739<br>  Au   -1.12764716    4.43678528    2.09149280<br>  Au   -2.48256690    3.07636719    3.96306526<br>  Au   -2.42354338    0.31415766    3.88278451<br>  Au   -2.40279984   -2.42709678    3.85688771<br>
  Au   -3.85230093   -1.04948331    5.86498215<br>  Au   -3.85402222    1.71997907    5.86080078<br>  Au   -2.41748862   -5.18993258    3.87674930<br>K_POINTS {Gamma}<br>CELL_PARAMETERS { cubic }<br>  25.00000  0.00000  0.00000<br>
   0.00000  25.00000  0.00000<br>   0.00000  0.00000  25.00000<br>"<br>