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<div class="moz-cite-prefix">dear Tushar Gupta<br>
<br>
the message says the code could not find a file.<br>
is the file there at the end of the scf run ?<br>
<br>
by the way remember that the units of degauss are Rydberg!<br>
<br>
0.2 Ry = 2.7 eV is a huge smearing, even with m-v smearing type
I would expect a significant effect and in any case you should
then include many more bands so that the occupation number is
decayed to zero before you stop summing. use verbosity='high' to
monitor the occupation numbers if you are not sure.<br>
<br>
stefano<br>
<br>
On 25/05/2016 20:42, Tushar Gupta wrote:<br>
</div>
<blockquote
cite="mid:CAKpvqC+-AXx3Fij_f66MwiYdu82cZs=EHwoNYJhvEbcZFjkxWg@mail.gmail.com"
type="cite">
<div dir="ltr">
<div style="font-size:12.8px">why is the following error coming
on running the ph.x code:</div>
<div style="font-size:12.8px"><br>
</div>
<div style="font-size:12.8px">
<div><font color="#0000ff">Program PHONON v.4.3.2 starts
on 25May2016 at 21:26:56</font></div>
<div><font color="#0000ff"><br>
</font></div>
<div><font color="#0000ff"> This program is part of the
open-source Quantum ESPRESSO suite</font></div>
<div><font color="#0000ff"> for quantum simulation of
materials; please cite</font></div>
<div><font color="#0000ff"> "P. Giannozzi et al., J.
Phys.:Condens. Matter 21 395502 (2009);</font></div>
<div><font color="#0000ff"> URL <a
moz-do-not-send="true"
href="http://www.quantum-espresso.org/" target="_blank"><a class="moz-txt-link-freetext" href="http://www.quantum-espresso.org">http://www.quantum-espresso.org</a></a>",</font></div>
<div><font color="#0000ff"> in publications or
presentations arising from this work. More details at</font></div>
<div><font color="#0000ff"> <a moz-do-not-send="true"
href="http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO"
target="_blank">http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO</a></font></div>
<div><font color="#0000ff"><br>
</font></div>
<div><font color="#0000ff"> Parallel version (MPI),
running on 1 processors</font></div>
<div><font color="#0000ff"><br>
</font></div>
<div><font color="#0000ff"> Ultrasoft (Vanderbilt)
Pseudopotentials</font></div>
<div><font color="#0000ff"><br>
</font></div>
<div><font color="#0000ff"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</font></div>
<div><font color="#0000ff"> from pp_check_file : error #
2</font></div>
<div><font color="#0000ff"> file
/home/vipin/tmp/rhodium.save not found</font></div>
<div><font color="#0000ff"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</font></div>
<div><font color="#0000ff"><br>
</font></div>
<div><font color="#0000ff"> stopping ...</font></div>
<div><font color="#0000ff">--------------------------------------------------------------------------</font></div>
<div><font color="#0000ff">MPI_ABORT was invoked on rank 0 in
communicator MPI_COMM_WORLD</font></div>
<div><font color="#0000ff">with errorcode 0.</font></div>
<div><font color="#0000ff"><br>
</font></div>
<div><font color="#0000ff">NOTE: invoking MPI_ABORT causes
Open MPI to kill all MPI processes.</font></div>
<div><font color="#0000ff">You may or may not see output from
other processes, depending on</font></div>
<div><font color="#0000ff">exactly when Open MPI kills them.</font></div>
<div><font color="#0000ff">--------------------------------------------------------------------------</font></div>
<div>~</div>
</div>
<div style="font-size:12.8px">have a look at my attached
input/output files.</div>
<div style="font-size:12.8px"><br>
</div>
<div>
<div class="gmail_signature">
<div dir="ltr"><font face="georgia, serif" size="4"
color="#0000ff"><b><i><u>Tushar Gupta.</u></i></b></font></div>
</div>
</div>
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<br>
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