[Pw_forum] How to calculate the properties of pt Bulk and the pt(111) surface

[oulihui666]

 Dear pwscf users:    Because of the need of research, I tried to calculate the properties of pt Bulk and the pt(111) surface containing 20 pt atoms with pwscf, however,when calculating, error information was found, it displayed:=======================================================          "from data_structure: error   #  1           too many sticks"=======================================================    I am really newbie in this thing, sorry about these naive questions...And this is the input file:    Thanks a lot   
 &CONTROL
                calculation = 'scf' ,
               restart_mode = 'from_scratch' ,
                     outdir = '/home/olh/tmp/' ,
                     wfcdir = '/home/olh/work/' ,
                 pseudo_dir = '/home/olh/pseudo/' ,
                     prefix = 'Pt(111)_20' ,
                    tstress = .true. ,
                    tprnfor = .true. ,
 /
 &SYSTEM
                      ibrav = 0,
                          A = 5.549 ,
                          B = 5.549 ,
                          C = 21.062 ,
                      cosAB = -0.5 ,
                      cosAC = 0 ,
                      cosBC = 0 ,
                        nat = 20,
                       ntyp = 1,
                    ecutwfc = 40 ,
                    ecutrho = 160 ,
                occupations = 'smearing' ,
                    degauss = 0.02 ,
                   smearing = 'gaussian' ,
                        nr1 = 1 ,
                        nr2 = 1 ,
                        nr3 = 1 ,
 /
 &ELECTRONS
                   conv_thr = 1.0D-8 ,
                mixing_beta = 0.7D0 ,
            diagonalization = 'david' ,
 /
CELL_PARAMETERS cubic
   10.486467456   0.000000000   0.000000000
   -5.243233728   9.081547213   0.000000000
    0.000000000   0.000000000  39.801219799
ATOMIC_SPECIES
  Pt 195.09000 Pt.pz-rrkjus.linux.UPF
ATOMIC_POSITIONS angstrom
  Pt    -0.000000000   0.000000000  -9.062000000   0 0 0
  Pt    -0.000000000   2.775000000  -9.062000000   0 0 0
  Pt     2.403000000  -1.387000000  -9.062000000   0 0 0
  Pt     2.403000000   1.387000000  -9.062000000   0 0 0
  Pt    -0.000000000  -0.000000000  -2.265000000   0 0 0
  Pt    -0.000000000   2.775000000  -2.265000000   0 0 0
  Pt     2.403000000  -1.387000000  -2.265000000   0 0 0
  Pt     2.403000000   1.387000000  -2.265000000   0 0 0
  Pt     1.602000000   0.000000000  -4.531000000   0 0 0
  Pt     1.602000000   2.775000000  -4.531000000   0 0 0
  Pt     4.005000000  -1.387000000  -4.531000000   0 0 0
  Pt     4.005000000   1.387000000  -4.531000000   0 0 0
  Pt     0.801000000   1.387000000  -6.796000000   1 1 1
  Pt     0.801000000   4.162000000  -6.796000000   1 1 1
  Pt     3.204000000   0.000000000  -6.796000000   1 1 1
  Pt     3.204000000   2.775000000  -6.796000000   1 1 1
  Pt     0.801000000   1.387000000  -0.000000000   1 1 1
  Pt     0.801000000   4.162000000  -0.000000000   1 1 1
  Pt     3.204000000  -0.000000000  -0.000000000   1 1 1
  Pt     3.204000000   2.775000000  -0.000000000   1 1 1
K_POINTS automatic
 2 2 2  1 1 1
                                                                  Lihui Ou  
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