ndtset   3

getwfk1  0

nqpt1    0
tolvrs1  5.0d-18
rfphon1  0

nqpt     1

qpt2     0.00000   0.00000   0.00000
qpt3     0.00000   0.00000   0.00000

iscf2   -3
rfphon2  0
rfelfd2  2
tolvrs2  0.0
tolwfr2  5.0d-22

getddk3  2
rfelfd3  3


getwfk   1
rfphon   1
rfatpol  1 2
rfdir    1 1 1
tolvrs   5.0d-10

acell  1.5118000000E+01  1.5118000000E+01  4.8233679562E+00
rprim  1.0  0.0  0.0
       0.0  1.0  0.0
       0.0  0.0  1.0

ntypat   1
znucl    6

natom    2
typat    1 1

xred    0.0000000000E+00  0.0000000000E+00 -4.9999948336E-03
        0.0000000000E+00  0.0000000000E+00  4.9499999483E-01

nband  8
ixc    7
occopt 3
tsmear 0.001
ecut   45.0

nkpt  20
kpt       0.00000000E+00  0.00000000E+00  -4.75000000E-01
          0.00000000E+00  0.00000000E+00  -4.25000000E-01
          0.00000000E+00  0.00000000E+00  -3.75000000E-01
          0.00000000E+00  0.00000000E+00  -3.25000000E-01
          0.00000000E+00  0.00000000E+00  -2.75000000E-01
          0.00000000E+00  0.00000000E+00  -2.25000000E-01
          0.00000000E+00  0.00000000E+00  -1.75000000E-01
          0.00000000E+00  0.00000000E+00  -1.25000000E-01
          0.00000000E+00  0.00000000E+00  -7.50000000E-02
          0.00000000E+00  0.00000000E+00  -2.50000000E-02
          0.00000000E+00  0.00000000E+00  2.50000000E-02
          0.00000000E+00  0.00000000E+00  7.50000000E-02
          0.00000000E+00  0.00000000E+00  1.25000000E-01
          0.00000000E+00  0.00000000E+00  1.75000000E-01
          0.00000000E+00  0.00000000E+00  2.25000000E-01
          0.00000000E+00  0.00000000E+00  2.75000000E-01
          0.00000000E+00  0.00000000E+00  3.25000000E-01
          0.00000000E+00  0.00000000E+00  3.75000000E-01
          0.00000000E+00  0.00000000E+00  4.25000000E-01
          0.00000000E+00  0.00000000E+00  4.75000000E-01


wtk  1/20 1/20 1/20 1/20 1/20 1/20 1/20 1/20 1/20 1/20 1/20 1/20 1/20 1/20 1/20 1/20 1/20 1/20 1/20 1/20

nstep  2000

diemix  0.5
diemac  2.0