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<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;">Dear all,
<br>
<br>
I am trying to run DOS calculations for ceria and I am getting this error though I am using &dos as required. I am new to using QE and to DFT calcualtions in general so can anyone let me know what's wrong, please.<br>
<br>
The error :<br>
<br>
Program DOS v.5.1.2 starts on 24May2015 at 12:39:43 <br>
<br>
This program is part of the open-source Quantum ESPRESSO suite<br>
for quantum simulation of materials; please cite<br>
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br>
URL http://www.quantum-espresso.org", <br>
in publications or presentations arising from this work. More details at<br>
http://www.quantum-espresso.org/quote<br>
<br>
Parallel version (MPI), running on 8 processors<br>
R & G space division: proc/nbgrp/npool/nimage = 8<br>
*** namelist &inputpp no longer valid: please use &dos instead<br>
<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<font color="FF0000">Error in routine dos (5010):<br>
reading dos namelist</font><br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
<br>
stopping ...<br>
<br>
===================================================================================<br>
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES<br>
= PID 619 RUNNING AT CELSIUS-M470-2<br>
= EXIT CODE: 1<br>
= CLEANING UP REMAINING PROCESSES<br>
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES<br>
===================================================================================<br>
<br>
My input is <br>
<br>
<br>
<font color="993300">&dos<br>
outdir='/home/dft/Desktop/Test/atom', <br>
prefix='ceria_examp'<br>
DelataE=.1, <br>
filedos='dout.dos' <br>
/<br>
EOF<br>
</font><br>
I am using the verison: QE 5.1.2<br>
<br>
Thank you in advance, <br>
Sara Kilany<br>
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