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<p>To whom it may concern, </p>
<p><br>
</p>
<p>I am a new user to Quantum Espresso and I am willing to do some DFT calculations and vibrational frequency calculations on zeolite (which has a crystalline structure). When I run my Pw file I got the following error. I looked for the error everywhere on
the internet and I was not able to solve it. I should say that my operating system is Linux and I could run all the examples of QE that have come with the installation. I also provide my input file below. </p>
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<p><b>ERROR:</b><br>
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<p><font color="#FF0000"> task # 0<br>
from read_namelists : error # 5010<br>
reading namelist control</font><br>
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<p> <br>
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<p><b>INPUT FILE :</b></p>
<p><font color="#006fc9"><br>
</font></p>
<p><font color="#006fc9">&control<br>
calculation='scf',<br>
prefix='sod',<br>
verbosity='high',<br>
pseudo_dir='../../pseudo',<br>
outdir='./',<br>
/<br>
<br>
&system<br>
ibrav=1<br>
ntype=2<br>
nat=3<br>
a=8.848<br>
ecutwfc=20<br>
/<br>
<br>
&electrons<br>
mixing_beta=0.7<br>
/<br>
<br>
<br>
ATOMIC_SPECIES<br>
Si 28.086 Si.pbe-rrkj.UPF<br>
O 16.00 O.pbe-rrkjus.UPF<br>
<br>
ATOMIC_POSITIONS {crystal}<br>
Si 0.25 0.0 0.5<br>
Si 0.25 0.5 0.0<br>
O 0.1366 0.4338 0.1490<br>
<br>
K_POINTS<br>
6 6 6 1 1 1</font><br>
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<p>I would really appreciate it if you would help me.</p>
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<p>Best regards, <br>
<b></b></p>
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<p>Amir M. Mofrad<span> </span></p>
<p>Graduate Research Assistant <span> </span></p>
<p>Chemical Engineering Department</p>
<p>University of Missouri<br>
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