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According the the error message "reading projwfc namelist", I think
the error comes from the format of your input file, are you sure it
is OK to include blank lines in your input file?<br>
<br>
Yun-Peng<br>
<br>
<div class="moz-cite-prefix">On 09/11/2015 04:03 PM, Kanak Datta
wrote:<br>
</div>
<blockquote
cite="mid:CAPGf_QHOJn41H2ou-2kfR5UYKkO7+MPSH_LGG+YA69Z+BRXXbQ@mail.gmail.com"
type="cite">
<div dir="ltr">Dear researchers
<div><br>
</div>
<div>I have been working on bilayer TMDC materials. I have been
facing problems with projwfc package.</div>
<div><br>
</div>
<div>Although, for monolayer 2D materials, I was able to extract
PDOS and the simulation worked fine , whenever I tried a
bilayer structure, the projwfc would give the following error:</div>
<div><br>
</div>
<div>
<div> "Error in routine do_projwfc (5010):</div>
<div> reading projwfc namelist"</div>
</div>
<div><br>
</div>
<div><br>
</div>
<div>My file for projwfc :</div>
<div><br>
</div>
<div>
<div>&PROJWFC</div>
<div><br>
</div>
<div>prefix='MoSSeAAA187',</div>
<div>outdir='D:\QuantumEspresso\Quantum Espresso 64-bit
5.1.2-mpich2\MoSSeAAA187\outdir',</div>
<div><br>
</div>
<div>Emin=-30.0,</div>
<div>Emax=50.0,</div>
<div>DeltaE=0.1,</div>
<div>flipdos='MoSSeAAA187.pdos_tot',</div>
<div>filproj='MoSSeAAA1871.dos',</div>
<div><br>
</div>
<div>/</div>
</div>
<div><br>
</div>
<div>I cant figure out what's wrong with it. I am using
ultrasoft pseudopotatial with PBE exchange cor-relation. Can
anyone help me?</div>
<div>Thanks in advance</div>
<div><br>
</div>
<div>Sincerely </div>
<div><br>
</div>
<div>Kanak</div>
<div>EEE, BUET</div>
</div>
<br>
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<br>
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