ndtset 5

#GS calculation
kptopt1 1
tolvrs1 1.0d-18


#RF calculation
  rfphon2  1
  rfatpol2 1 20
  rfdir2 1 1 1
  nqpt2 1
   qpt2 0 0 0
  kptopt2  3
  tolvrs2 1.0d-8
   getwfk2 -1

#RF calculation phonon at z
rfphon3 1
rfatpol3 1 20
rfdir3 1 1 1
nqpt3 1
qpt3    0.0 0.0 1.66666667E-01
getwfk3 1
kptopt3 3
tolvrs3 1.0d-8

#RF calculation phonon at z
rfphon4 1
rfatpol4 1 20
rfdir4 1 1 1
nqpt4 1
qpt4 0.0 0.0 3.33333333E-01
getwfk4 1
kptopt4 3
tolvrs4 1.0d-8


#RF calculation phonon at z
rfphon5 1
rfatpol5 1 20
rfdir5 1 1 1
nqpt5 1
qpt5 0.0 0.0 0.5
getwfk5 1
kptopt5 3
tolvrs5 1.0d-8


#Definition of the unit cell

acell 3*1 Angstroms

rprim 10.0188000000000006    0.0000000000000000    0.0000000000000000
      -4.9261999999999979    8.5324286882458047    0.0000000000000000
       0.0000000000000001    0.0000000000000003    2.4394999999999998
       
#Definition of the atom types
ntypat 1
znucl 6

#Definition of the atoms

natom 20
typat 20*1

xred
              8.9728919617E-01  6.9257779050E-01  2.5000000000E-01
              7.7409090211E-01  8.9173249236E-01  2.5000000000E-01
              6.3346089948E-01  8.9418774950E-01  2.5000000000E-01
              1.8725787925E-01  5.5228234557E-01  2.5000000000E-01
              1.0862895711E-01  2.3741915909E-01  2.5000000000E-01
              1.7169257812E-01  1.3623483612E-01  2.5000000000E-01
              4.4756045205E-01  1.3054637812E-01  2.5000000000E-01
              6.1058026690E-01  2.2432992283E-01  2.5000000000E-01
              8.5680558549E-01  5.3201773639E-01  2.5000000000E-01
              3.1229772383E-01  7.0908839827E-01  2.5000000000E-01
              3.8941973310E-01  7.7567007717E-01  7.5000000000E-01
              8.9137104289E-01  7.6258084091E-01  7.5000000000E-01
              2.2590909789E-01  1.0826750764E-01  7.5000000000E-01
              3.6653910052E-01  1.0581225050E-01  7.5000000000E-01
              8.2830742188E-01  8.6376516388E-01  7.5000000000E-01
              1.4319441451E-01  4.6798226361E-01  7.5000000000E-01
              6.8770227617E-01  2.9091160173E-01  7.5000000000E-01
              8.1274212075E-01  4.4771765443E-01  7.5000000000E-01
              1.0271080383E-01  3.0742220950E-01  7.5000000000E-01
              5.5243954795E-01  8.6945362188E-01  7.5000000000E-01

#Definition of the planewave basis set

ecut 20

#Definition of the k-point grid

ngkpt 1 1 6
ixc=1


#Definition of the SCF procedure
nstep 100 
iscf 5
#Define the methodology to find the minimum 
nband    120
occopt   7