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<p>Dear Oanh <br>
</p>
<p>Check that the pseudopotential files that you are using are
complete. Download them again from the QE site. <br>
</p>
<p>Anyway 31 atoms and 20 bands, the computation is going to stop
soon <br>
</p>
pietro <br>
<br>
<br>
<div class="moz-cite-prefix">On 25/10/2016 07:15, Oanh Nguyen wrote<br>
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cite="mid:CAG+h4PgJHxmgtnxr3T7Y7puvgddJbRS0CW3W_u35JhEP4XZ-Lg@mail.gmail.com"
type="cite">
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<div>Dear users!<br>
</div>
I callculated 'scf" for PdxTaSe2 with input file below.<br>
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I don't understand where is the errors when I run it.<br>
</div>
The errors is that: FROM IOTK LIBRARY, VERSION 1.2.0<br>
# UNRECOVERABLE ERROR (ierr=2)<br>
# ERROR IN: iotk_getline (iotk_scan.f90:947)<br>
# CVS Revision: 1.23 <br>
# <br>
iostat=5008<br>
# ERROR IN: iotk_scan_tag (iotk_scan.f90:593)<br>
# CVS Revision: 1.23 <br>
# ERROR IN: iotk_scan (iotk_scan.f90:821)<br>
# CVS Revision: 1.23 <br>
# ERROR IN: iotk_scan_end (iotk_scan.f90:241)<br>
# CVS Revision: 1.23 <br>
# foundl<br>
.......<br>
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can you help me to fix them?<br>
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Thank you><br>
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