<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US">Dear users,</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US">I have performed a simple scf calculation for SrTiO<sub>3</sub> using Wien2k_08. <span style="mso-bidi-font-style: italic">If I run scf with</span> k point set to 100<span style="mso-bidi-font-style: italic">, it runs smoothly. </span>But when I increase the number of k point to 1000 or 10000, <span style="mso-bidi-font-style: italic">it stops and shows error:</span></span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt; mso-bidi-font-style: italic" lang="EN-US">LAPW0 END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt; mso-bidi-font-style: italic" lang="EN-US">SELECT - Error</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt; mso-bidi-font-style: italic" lang="EN-US">><span style="mso-spacerun: yes"> </span>stop error</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt; mso-bidi-font-style: italic" lang="EN-US"> </span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt; mso-bidi-font-style: italic" lang="EN-US">In <em>lapw1.error</em> file</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt; mso-bidi-font-style: italic" lang="EN-US">“'SELECT' - no energy limits found for L= 0<span style="mso-spacerun: yes"> </span></span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt; mso-bidi-font-style: italic" lang="EN-US"><span style="mso-spacerun: yes"> </span>'SELECT' - E-bottom -200.00000<span style="mso-spacerun: yes"> </span>E-top -200.00000”</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt; mso-bidi-font-style: italic" lang="EN-US"> </span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US">When I run the job parallel, it shows error</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US">LAPW1 END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US"><span style="mso-spacerun: yes"> </span>LAPW1 END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US"><span style="mso-spacerun: yes"> </span>LAPW1 END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US"><span style="mso-spacerun: yes"> </span>LAPW1 END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US"><span style="mso-spacerun: yes"> </span>LAPW1 END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US"><span style="mso-spacerun: yes"> </span>LAPW1 END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US">LAPW2 - FERMI; weighs written</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US"><span style="mso-spacerun: yes"> </span>LAPW2 END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US"><span style="mso-spacerun: yes"> </span>LAPW2 END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US"><span style="mso-spacerun: yes"> </span>LAPW2 END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US"><span style="mso-spacerun: yes"> </span>LAPW2 END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US"><span style="mso-spacerun: yes"> </span>LAPW2 END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US"><span style="mso-spacerun: yes"> </span>LAPW2 END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US"><span style="mso-spacerun: yes"> </span>SUMPARA END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US"><span style="mso-spacerun: yes"> </span>CORE<span style="mso-spacerun: yes"> </span>END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US"><span style="mso-spacerun: yes"> </span>MIXER END</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US">(standard_in) 1: illegal character: N</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US">(standard_in) 1: illegal character: N</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US">(standard_in) 1: illegal character: N</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US">(standard_in) 1: illegal character: N</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US">(standard_in) 1: illegal character: N</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US">(standard_in) 1: illegal character: N</span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; FONT-SIZE: 10.5pt" lang="EN-US">ctest: Subscript out of range.</span></p>
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<span lang="EN-US"><font size="3" face="ËÎÌå"> </font></span></p><span style="FONT-FAMILY: 'Times New Roman'" lang="EN-US"><font size="3">
<p style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; mso-pagination: widow-orphan; tab-stops: 45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" class="MsoNormal" align="left">
<span style="FONT-FAMILY: 'Times New Roman'" lang="EN-US">Does anyone have a comment? How should I fix this problem?</span><span style="mso-bidi-font-style: italic" lang="EN-US"><font face="ËÎÌå"> </font></span><span style="FONT-FAMILY: 'Times New Roman'; mso-bidi-font-style: italic" lang="EN-US">I'll appreciate your answer.</span><span style="FONT-FAMILY: 'Times New Roman'" lang="EN-US"></span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; mso-bidi-font-style: italic" lang="EN-US"> </span></p>
<p style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; mso-bidi-font-style: italic" lang="EN-US">Regards</span><span style="FONT-FAMILY: 'Times New Roman'" lang="EN-US"></span></p>
<p style="TEXT-ALIGN: left; MARGIN: 0cm 0cm 0pt; mso-pagination: widow-orphan; tab-stops: 45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt" class="MsoNormal" align="left">
</p></font></span><span style="FONT-FAMILY: 'Times New Roman'; mso-bidi-font-style: italic" lang="EN-US"><font size="3">Hua Peng</font></span>
<div style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; mso-bidi-font-style: italic" lang="EN-US"><font size="3"></font></span> </div>
<div style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; mso-bidi-font-style: italic" lang="EN-US"><font size="3">---------------------------------</font></span></div>
<div style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; mso-bidi-font-style: italic" lang="EN-US"><font size="3">Hua Peng</font></span></div>
<div style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; mso-bidi-font-style: italic" lang="EN-US"><font size="3">Department of Physics</font></span></div>
<div style="MARGIN: 0cm 0cm 0pt" class="MsoNormal"><span style="FONT-FAMILY: 'Times New Roman'; mso-bidi-font-style: italic" lang="EN-US"><font size="3">ShanDong University</font></span></div>