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<div><span id="result_box"><span class="hps"><span id="result_box"><span class="hps">Dear</span> <span class="hps">Users</span><br /><span class="hps">After</span> <span class="hps">use the</span> <span class="hps">VISTA</span> <span class="hps">program</span> <span class="hps">to fix</span> <span class="hps">the structure</span><span>,</span> <span class="hps">find</span> <span class="hps">the error</span></span></span></span></div>
<div><span><span class="hps"><span><span class="hps"></span></span></span></span> </div>
<div><span><span class="hps"><span><span class="hps">Error in LAPW1<br /> 'SELECT' - no energy limits found for L= 0 <br /> 'SELECT' - E-bottom -200.00000 E-top -3.89200 </span></span></span></span></div>
<div><span><span class="hps"><span><span class="hps"></span></span></span></span> </div>
<div><span><span class="hps"><span><span class="hps"><span id="result_box" class="short_text"><span class="hps">structure used</span></span></span></span></span></span></div>
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<p>sb2te3</p>
<p>R LATTICE,NONEQUIV.ATOMS: 3160_R3m</p>
<p>MODE OF CALC=RELA unit=ang</p>
<p>7.558908 7.558908 53.781627 90.000000 90.000000120.000000</p>
<p>ATOM -1: X=0.05202962 Y=0.81503704 Z=0.39308148</p>
<p>MULT= 6 ISPLIT= 8</p>
<p>-1: X=0.81503704 Y=0.39308148 Z=0.05202962</p>
<p>-1: X=0.05202962 Y=0.39308148 Z=0.81503704</p>
<p>-1: X=0.39308148 Y=0.05202962 Z=0.81503704</p>
<p>-1: X=0.39308148 Y=0.81503704 Z=0.05202962</p>
<p>-1: X=0.81503704 Y=0.05202962 Z=0.39308148</p>
<p>Sb1 NPT= 781 R0=0.00001000 RMT= 0.8900 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=0.00328888 Y=0.75411111 Z=0.25904444</p>
<p>MULT= 6 ISPLIT= 8</p>
<p>-2: X=0.75411111 Y=0.25904444 Z=0.00328888</p>
<p>-2: X=0.00328888 Y=0.25904444 Z=0.75411111</p>
<p>-2: X=0.25904444 Y=0.00328888 Z=0.75411111</p>
<p>-2: X=0.25904444 Y=0.75411111 Z=0.00328888</p>
<p>-2: X=0.75411111 Y=0.00328888 Z=0.25904444</p>
<p>Te2 NPT= 781 R0=0.00001000 RMT= 0.9400 Z: 52.0</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 -3: X=0.00000000 Y=0.00000000 Z=0.00000000</p>
<p>MULT= 1 ISPLIT= 4</p>
<p>Te3 NPT= 781 R0=0.00001000 RMT= 0.9400 Z: 52.0</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>6 NUMBER OF SYMMETRY OPERATIONS</p>
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