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[yunhee.chang@kriss.re.kr]

Dear Abinit users,

I calculate the phonon dispersion of the In on Si(111) surface,
in this system, the reciprocal primitive cell is oblique,
so when I choose the kpoints using the input variables, kptopt, ngkpt,
nshiftk, shiftk,
their kpoints are also oblique.
But I want to calculate the rectangular kpoints cell.
So I want to choose the kpoints in reciprocal coordinate.
I try to find the options about that, but I cannot found.
Is there any input variables to choose the kpoint in reciprocal coordinates?
Please, give me any comments of my problems.

The input files is like below.
============================================================================
# Si(111)-4x1: 5BL slab
# 
# A first step of atomic relaxation and total energy
#
 
# Definition of occupation number
occopt 3
tsmear 0.0007
 
nband 235
 
#Definition of the unit cell     
acell  2.105671378027334         3.647129810786902         1.488934510353547
rprim 12.000000000000000        -6.928203230275486         0.000000000000000
       0.000000000000000         4.000000000000000         0.000000000000000
       0.000000000000000         0.000000000000000        40.000000000000000
chkprim 0
 
#Definition of the atom types
ntypat 4    
znucl 49 14 14 1
 
 
#Definition of the atoms
natom 100       
typat 8*1 4*2 80*3 8*4
 
#Define the methodology to find the minimum
ionmov  4 
ntime   30    
tolmxf  2.0d-5
 
           
natfix   24
                
iatfix   77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 
100
      
xangst
               
   4.82034558  3.85995450 18.97519466
   7.14657908  1.92997725 18.43023602
   9.55963107  0.00000000 18.49195743
   5.55160180  0.00000000 11.85182360
   8.91745791  1.92997725 11.83654442
  12.22177164  0.00000000 11.80314267
   2.23825950  5.78993175  9.41031855
   5.55900049  3.85995450  9.47643811
   8.91565032 -1.92997725  9.46638708
  12.23652375 -3.85995450  9.44103693
   2.23825950  1.92997725  9.41031855
   5.55900049  0.00000000  9.47643811
   8.91565032  1.92997725  9.46638708
  12.23652375  0.00000000  9.44103693
  13.36388145 -1.92997725  8.66269540
   3.34983310  3.85995450  8.63764542
   6.68049207 -1.92997725  8.68840015
  10.01437264 -3.85995450  8.65577499
  13.36388145 -5.78993175  8.66269540
   3.34983310  0.00000000  8.63764542
   6.68049207  1.92997725  8.68840015
  10.01437264  0.00000000  8.65577499
  13.36802248 -1.92997725  6.29758162
   3.34749149  3.85995450  6.28312343
   6.68494594 -1.92997725  6.31488835
  10.02272224 -3.85995450  6.29540885
  13.36802248 -5.78993175  6.29758162
   3.34749149  0.00000000  6.28312343
   6.68494594  1.92997725  6.31488835
  10.02272224  0.00000000  6.29540885
   1.11353561  3.85995450  5.50940879
   4.46197255 -1.92997725  5.50579132
   7.79479922 -3.85995450  5.51305075
  11.13924573 -1.92997725  5.50925409
   1.11353561  0.00000000  5.50940879
   4.46197255  1.92997725  5.50579132
   7.79479922  0.00000000  5.51305075
  11.13924573 -5.78993175  5.50925409
   1.11427288  3.85995450  3.15163965
   4.45709154 -1.92997725  3.15163965
   7.79991019 -3.85995450  3.15163965
  11.14272884 -1.92997725  3.15163965
   1.11427288  0.00000000  3.15163965
   4.45709154  1.92997725  3.15163965
   7.79991019  0.00000000  3.15163965
   4.45709154  1.92997725  3.15163965
   7.79991019  0.00000000  3.15163965
  11.14272884 -5.78993175  3.15163965
   2.22854577  5.78993175  2.36372974
   5.57136442  3.85995450  2.36372974
   8.91418307 -1.92997725  2.36372974
  12.25700172 -3.85995450  2.36372974
   2.22854577  1.92997725  2.36372974
   5.57136442  0.00000000  2.36372974
   8.91418307  1.92997725  2.36372974
  12.25700172  0.00000000  2.36372974
   2.22854577  5.78993175  0.89821730
   5.57136442  3.85995450  0.89821730
   8.91418307 -1.92997725  0.89821730
  12.25700172 -3.85995450  0.89821730
   2.22854577  1.92997725  0.89821730
   5.57136442  0.00000000  0.89821730
   8.91418307  1.92997725  0.89821730
  12.25700172  0.00000000  0.89821730
 
#getwfk -1
 
#Definition of the k-point grids
 kptopt 1
 ngkpt  2 8 1
 nshiftk 1
 shiftk  0.5 0.5 0.0
 
#Exchange-correlation functional
ixc 11
 
#Definition of the planewave basis set
ecut  8.0
 
#Definition of the SCF procedure
nstep 30
tolvrs 1.0d-6
 
prtden 1
prtdos 1
prtgeo 1
prtwf 1

==========================================================================
Please give me any comments and helps~!

Best regards,
Yunhee Chang