<div dir="ltr"><p class="MsoNormal" style="font-family:arial,sans-serif;font-size:13px"><span style="font-size:12pt;line-height:18px;font-family:'Times New Roman',serif">Dear Wien2k users,</span></p><p class="MsoNormal" style="font-family:arial,sans-serif;font-size:13px">
<span style="font-size:12pt;line-height:18px;font-family:'Times New Roman',serif">I run cubic LaS compound for elastic properties at 0 GPa pressure, It running well. Then I run LaS for pressure (5, 10 and 15) GaP follow user guide, all the commands executed without any sort of error and without any warning. the commands given below here</span></p>
<p class="MsoNormal" style="font-family:arial,sans-serif;font-size:13px"><span style="font-size:12pt;line-height:18px;font-family:'Times New Roman',serif"><br></span></p><p class="MsoNormal" style="font-family:arial,sans-serif;font-size:13px">
<span style="font-size:12pt;line-height:18px;font-family:'Times New Roman',serif">init_elast_pressure (bring the elast.inelastp1 and make change accordingly for 5, 10 and 15 GPa)</span></p><p class="MsoNormal" style="font-family:arial,sans-serif;font-size:13px">
<span style="font-size:12pt;line-height:18px;font-family:'Times New Roman',serif">cd elast</span></p><p class="MsoNormal" style="font-family:arial,sans-serif;font-size:13px"><span style="font-size:12pt;line-height:18px;font-family:'Times New Roman',serif">elast_setup_pressure (bring the elast.inelastp2 to elast directory and make change accordingly for iso, tet and trig structure)</span></p>
<p class="MsoNormal" style="font-family:arial,sans-serif;font-size:13px"><span style="font-size:12pt;line-height:18px;font-family:'Times New Roman',serif">cd preussure_1</span></p><p class="MsoNormal" style="font-family:arial,sans-serif;font-size:13px">
<span style="font-size:12pt;line-height:18px;font-family:'Times New Roman',serif">./eos.job in pressure_1 directory</span></p><p class="MsoNormal" style="font-family:arial,sans-serif;font-size:13px"><span style="font-size:12pt;line-height:18px;font-family:'Times New Roman',serif">It gives error below</span></p>
<p class="MsoNormal" style="margin-bottom:0.0001pt;font-family:arial,sans-serif;font-size:13px"><span style="font-family:'Courier New'">Error in LAPW1</span></p><p class="MsoNormal" style="margin-bottom:0.0001pt;font-family:arial,sans-serif;font-size:13px">
<span style="font-family:'Courier New'"> 'SELECT' - no energy limits found for atom 1 L= 1 </span></p><p class="MsoNormal" style="font-family:arial,sans-serif;font-size:13px"><span style="font-family:'Courier New'"> 'SELECT' - E-bottom -3.22783 E-top -200.00000</span><span style="font-size:12pt;line-height:18px;font-family:'Times New Roman',serif"> <b></b></span></p>
<p class="MsoNormal" style="font-family:arial,sans-serif;font-size:13px"><span style="font-size:12pt;line-height:18px;font-family:'Times New Roman',serif">Please suggest me the remedy.</span></p><p class="MsoNormal" style="font-family:arial,sans-serif;font-size:13px">
<span style="font-size:12pt;line-height:18px;font-family:'Times New Roman',serif">Thanks</span></p><div><br></div>-- <br><i style="font-family:'times new roman','new york',times,serif;font-size:16px;background-color:rgb(255,255,255)">Muhammad Shafiq <br>
Ph. D. Scholar<br>Department of Physics<br>University of Malakand, Pakistan.<br>Cell: <font color="#0000bf">+92-3018046800</font></i>
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