[Pw_forum] help

[Amin Babazadeh]

Dear users
I want to simulate a nanostructure with using espresso code so I give this
structure

&CONTROL
                 calculation = 'nscf' ,
                restart_mode = 'from_scratch' ,
                      outdir = '/home/zareh/espresso- 2.1.3/work/zns_nano/'
,
                  pseudo_dir = '/home/zareh/espresso-2.1.3/pseudo/' ,
                      prefix = zns ,
               etot_conv_thr = 1.D-6 ,
               forc_conv_thr = 1.D-5 ,
 /
 &SYSTEM
                       ibrav = 2,
                   celldm(1) = 30.670266,
                         nat = 10,
                        ntyp = 2,
                     ecutwfc = 20. ,
                       nosym = .true. ,
                 occupations = 'smearing' ,
                     degauss = 0.002 ,
                       nspin = 1 ,
 /
 &ELECTRONS
             diagonalization = 'cg' ,
 /
ATOMIC_SPECIES
   Zn   65.40900  Zn.pw91-van_ak.UPF
    S   32.06600  S.pw91-van_ak.UPF
ATOMIC_POSITIONS crystal
   Zn      0.166666670    0.166666670     0.000000000
   Zn      0.166666670    0.166666670    0.333333330
   Zn      0.166666670    0.000000000    0.166666670
   Zn      0.166666670    0.333333330    0.166666670
   Zn      0.000000000     0.166666670    0.166666670
   Zn      0.333333330    0.166666670     0.166666670
    S      0.083333330    0.083333330    0.083333330
    S      0.250000000    0.250000000    0.083333330
    S      0.250000000    0.083333330    0.250000000
    S      0.083333330     0.250000000    0.250000000


The calculation for pw.x was good but my problem is in finding band
structures.I don't know what k-points is good for this structure.I will
appreciate if tell me what k-point is good for this structure or give me a
recommend that how usually  we  choose k-point for any structure because I
usually use automatic generation k-point and I don't know how manually i can
choose the k-points.
Sincerely yours

-- 
AMIN
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