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<p> </p>
<div><span id="result_box"><span class="hps">Dear</span> <span class="hps">users</span><br /><span class="hps">I have</span> <span class="hps">serious problems</span> <span class="hps">in the calculation of</span> <span class="hps">alloy</span> <span class="hps">2Sb3Te</span><span>.</span> <span class="hps">Aguns</span> <span class="hps">problem seems</span> <span class="hps">resolved</span> <span class="hps">and</span> <span class="hps">the problem arose, in cycle 2 </span></span><span><span class="hps"></span></span></div>
<pre>> stop error
lapw1 08048161 Unknown Unknown Unknown
lapw1 085AAAD0 Unknown Unknown Unknown
lapw1 080482A1 Unknown Unknown Unknown
lapw1 08066FDF MAIN__ 42 lapw1_tmp_.F
lapw1 08064A84 inilpw_ 370 inilpw.f
lapw1 0854396A Unknown Unknown Unknown
lapw1 08525F0B Unknown Unknown Unknown
lapw1 085265EA Unknown Unknown Unknown
lapw1 0855C848 Unknown Unknown Unknown
lapw1 0859EE05 Unknown Unknown Unknown
lapw1 0859F88D Unknown Unknown Unknown
Image PC Routine Line Source
forrtl: severe (24): end-of-file during read, unit 5, file /home/vandao/WIEN2k/vandao/joaoc/sb2te3/sb2te3.in1
Invalid null command.
LAPW0 END
Invalid null command.
hup: Command not found.
in cycle 2 ETEST: 0 CTEST: 0
MIXER END
Invalid null command.
CORE END
Invalid null command.
CORE END
Invalid null command.
LAPW2 END
Invalid null command.
LAPW2 END
Invalid null command.
LAPW1 END
Invalid null command.
LAPW1 END
Invalid null command.
LAPW0 END
Invalid null command.
hup: Command not found.
</pre>
<div><span><span class="hps"><span id="result_box" class="short_text"><span class="hps">When</span> <span class="hps">the</span> <span class="hps">road</span> <span class="hps">structure:</span></span></span></span></div>
<div>
<p>sb2te3</p>
<p>R LATTICE,NONEQUIV.ATOMS: 3</p>
<p>MODE OF CALC=RELA unit=ang</p>
<p>7.558908 7.558908 53.781627 90.000000 90.000000 90.000000</p>
<p>ATOM -1: X=0.00000000 Y=0.00000000 Z=0.39880000</p>
<p>MULT= 1 ISPLIT= 8</p>
<p>Sb NPT= 781 R0=0.00001000 RMT= 2.5000 Z: 51.0</p>
<p>LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000</p>
<p>0.0000000 1.0000000 0.0000000</p>
<p>0.0000000 0.0000000 1.0000000</p>
<p>ATOM 2: X=0.00000000 Y=0.00000000 Z=0.78720000</p>
<p>MULT= 1 ISPLIT= 8</p>
<p>Te NPT= 781 R0=0.00001000 RMT= 1.9500 Z: 52.0</p>
<p>LOCAL ROT MATRIX: 0.0000000 0.0000000 0.0000000</p>
<p>0.0000000 0.0000000 0.0000000</p>
<p>0.0000000 0.0000000 0.0000000</p>
<p>ATOM 3: X=0.00000000 Y=0.00000000 Z=0.00000000</p>
<p>MULT= 1 ISPLIT= 0</p>
<p>Te NPT= 781 R0=0.00001000 RMT= 1.9500 Z: 52.0</p>
<p>LOCAL ROT MATRIX: 0.0000000 0.0000000 0.0000000</p>
<p>0.0000000 0.0000000 0.0000000</p>
<p>0.0000000 0.0000000 0.0000000</p>
<span><span class="hps"><span style="font-size: x-small;"><span style="font-size: x-small;"><span></span></span></span><br /></span></span></div>
<p> </p>
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