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<div style="margin-bottom: 0in;">Hi</div>
<div style="margin-bottom: 0in;">First I have to say as Eyvaz had
suggested I ran my ph.x code for same nq1,nq2,nq3 (2,2,2) but I get
the previous error. I ran kpoints.x but I did'nt understand how could
it help me, because I have done scf calculations with 12x12x1 grid
and I have got same k as I got from kpoints.x.</div>
<div style="margin-bottom: 0in;">In the following as you wanted you could
check some
parts of my input & output. <br></div>
<div style="margin-bottom: 0in;"><u><b>scf calculations</b></u></div>
<div style="margin-bottom: 0in; text-decoration: none;"> /</div>
<div style="margin-bottom: 0in; text-decoration: none;"> &system</div>
<div style="margin-bottom: 0in; text-decoration: none;"> ibrav = 0 ,
celldm(1) =4.92 , nat= 2, ntyp= 1,</div>
<div style="margin-bottom: 0in; text-decoration: none;"> ecutwfc =35,
ecutrho=500 , occupations='smearing', degauss=0.02,</div>
<div style="margin-bottom: 0in; text-decoration: none;">
smearing='m-p',</div>
<div style="margin-bottom: 0in; text-decoration: none;"> /</div>
<div style="margin-bottom: 0in; text-decoration: none;"> &electrons</div>
<div style="margin-bottom: 0in; text-decoration: none;">
diagonalization='cg'</div>
<div style="margin-bottom: 0in; text-decoration: none;"> mixing_beta
= 0.7</div>
<div style="margin-bottom: 0in; text-decoration: none;"> conv_thr =
1.0d-9</div>
<div style="margin-bottom: 0in; text-decoration: none;"> /</div>
<div style="margin-bottom: 0in; text-decoration: none;">ATOMIC_SPECIES</div>
<div style="margin-bottom: 0in; text-decoration: none;"> C 12.0107
C.pbe-van_bm.UPF</div>
<div style="margin-bottom: 0in; text-decoration: none;">CELL_PARAMETERS
HEXAGONAL</div>
<div style="margin-bottom: 0in; text-decoration: none;"> 0.947945153
0.000000000 0.000000000</div>
<div style="margin-bottom: 0in; text-decoration: none;"> -0.473972577
0.820944584 0.000000000</div>
<div style="margin-bottom: 0in; text-decoration: none;"> 0.000000000
0.000000000 10.017908940</div>
<div style="margin-bottom: 0in; text-decoration: none;">ATOMIC_POSITIONS
{crystal}</div>
<div style="margin-bottom: 0in; text-decoration: none;"> C 0.000000000
0.000000000 0.000000000</div>
<div style="margin-bottom: 0in; text-decoration: none;"> C 0.333333300
0.666666700 0.000000000</div>
<div style="margin-bottom: 0in; text-decoration: none;">K_POINTS
AUTOMATIC</div>
<div style="margin-bottom: 0in; text-decoration: none;">12 12 1 1 1
1
</div>
<div style="margin-bottom: 0in; text-decoration: none;"><br>
</div>
<div style="margin-bottom: 0in;"><u><b>phonon calculations</b></u></div>
<div style="margin-bottom: 0in;"><br>
</div>
<div style="margin-bottom: 0in;"><span style="text-decoration: none;">
<span style="">tr2_ph=1.0d-14,</span></span></div>
<div style="margin-bottom: 0in; text-decoration: none;">
prefix='Graphene',</div>
<div style="margin-bottom: 0in; text-decoration: none;">
ldisp=.true.,</div>
<div style="margin-bottom: 0in; text-decoration: none;">
nq1=2, nq2=2, nq3=1</div>
<div style="margin-bottom: 0in; text-decoration: none;">
amass(1)=12.0107,</div>
<div style="margin-bottom: 0in; text-decoration: none;">
outdir='/home/mehrnaz/scratch/tmp2/',</div>
<div style="margin-bottom: 0in; text-decoration: none;">
fildyn='graphene.dyn',</div>
<div style="margin-bottom: 0in; text-decoration: none;">
/</div>
<div style="margin-bottom: 0in; text-decoration: none;">
<br>
</div>
<div style="margin-bottom: 0in;"><u><b>q2r.out</b></u></div>
<div style="margin-bottom: 0in;"><span style="text-decoration: none;">
<span style="">nqs= 1</span></span></div>
<div style="margin-bottom: 0in;"><span style="text-decoration: none;"> <span
style="">q=
0.00000000 0.00000000 0.00000000</span></span></div>
<div style="margin-bottom: 0in;"><span style="text-decoration: none;">
<span style="">reading force constants from file
graphene.dyn2</span></span></div>
<div style="margin-bottom: 0in;"><span style="text-decoration: none;">
<span style="">nqs= 1</span></span></div>
<div style="margin-bottom: 0in;"><span style="text-decoration: none;"> <span
style="">q=
0.00000000 -0.60905451 0.00000000</span></span></div>
<div style="margin-bottom: 0in;"><br>
</div>
<div style="margin-bottom: 0in;"><span style="text-decoration: none;">
<span style="">from init : error # 1</span></span></div>
<div style="margin-bottom: 0in;"><span style="text-decoration: none;">
<span style="">missing q-point(s)!</span></span></div>
<div style="margin-bottom: 0in;"><span style="text-decoration: none;">
<span style="">stopping ...</span></span></div>
<div style="margin-bottom: 0in;"><span style="text-decoration: none;"><span
style="">Mehrnaz</span></span></div>
<div style="margin-bottom: 0in;"><span style="text-decoration: none;"><span
style="">Iran
University Of Science & Technology</span></span></div>
<br> </div></font>
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