ndtset 4 #5 
nqpt   1
qpt    0.0 0.0 0.38
################################################
irdwfk1  0
getwfk1  0
kptopt1  1
nqpt1    0
tolvrs1  4.0d-18
rfphon1  0
prtden1  1
################################################
getwfk2  1 # Important!!
getden2  1
iscf2   -3
rfphon2  0
tolvrs2  0.0
tolwfr2  4.0d-22

#################################################
kptopt  3
rfphon  1
getwfk  1

getwfk3  1
getwfq3  2
getwfk4  1
getwfq4  2
#getwfk5  1
#getwfq5  2
#getwfk6  1
#getwfq6  2

rfatpol3 1  2 #2 6
rfdir3   1 1 1
rfatpol4 17 20 #7 11
rfdir4   1 1 1
#rfatpol5 12 16
#rfdir5   1 1 1
#rfatpol6 17 20
#rfdir6   1 1 1

tolvrs  1.0d-9
acell    2.8345891875E+01  2.8345891875E+01  4.6283016835E+00

rprim 1.0  0.0  0.0
      0.0  1.0  0.0
      0.0  0.0  1.0

      xred   -4.7278799914E-02 -2.2260959248E-01  2.5000000000E-01
              4.7278799914E-02 -2.2260959248E-01  2.5000000000E-01
              9.2596301071E-02 -2.0788436309E-01 -2.5000000000E-01
              1.6909356315E-01 -1.5230349014E-01 -2.5000000000E-01
              1.9710108907E-01 -1.1375394017E-01  2.5000000000E-01
              2.2632074952E-01 -2.3824680358E-02  2.5000000000E-01
              2.2632074952E-01  2.3824680358E-02 -2.5000000000E-01
              1.9710108907E-01  1.1375394017E-01 -2.5000000000E-01
              1.6909356315E-01  1.5230349014E-01  2.5000000000E-01
              9.2596301071E-02  2.0788436309E-01  2.5000000000E-01
              4.7278799914E-02  2.2260959248E-01 -2.5000000000E-01
             -4.7278799914E-02  2.2260959248E-01 -2.5000000000E-01
             -9.2596301071E-02  2.0788436309E-01  2.5000000000E-01
             -1.6909356315E-01  1.5230349014E-01  2.5000000000E-01
             -1.9710108907E-01  1.1375394017E-01 -2.5000000000E-01
             -2.2632074952E-01  2.3824680358E-02 -2.5000000000E-01
             -2.2632074952E-01 -2.3824680358E-02  2.5000000000E-01
             -1.9710108907E-01 -1.1375394017E-01  2.5000000000E-01
             -1.6909356315E-01 -1.5230349014E-01 -2.5000000000E-01
             -9.2596301071E-02 -2.0788436309E-01 -2.5000000000E-01

ntypat   1
znucl    6
natom   20
typat   1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
nband   48
ixc     7
occopt  3
tsmear  0.001
ecut    45.0
ngkpt   1  1  16
nshiftk  1
shiftk  0.0  0.0  0.5
nstep   3000
diemix 0.5
diemac  2.0