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This error can result if <b>case.klist_band</b> is empty.<br>
<br>
Did you create <b>case.klist_band</b> before executing <b>x lapw1
-band</b>?<br>
<br>
(If you used <b>from xcrysden</b> from the w2web list, it requires
that the file saved using <b>Generate k-mesh using XCrysden</b>
have the filename <b>xcrysden.klist</b> in the <b>case</b>
directory)<br>
<br>
On 5/6/2012 6:18 AM, qwef fwefwe wrote:
<blockquote
cite="mid:1336303135.48840.YahooMailNeo@web161601.mail.bf1.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff; font-family:times
new roman, new york, times, serif;font-size:12pt">
<div>Respected Prof. Mark and Wien2k users<br>
</div>
<div><br>
</div>
<div>In my calculations mBJ-GGA was successfully executed after
that I get this error in first step of band gap calulation
i,e.<b>x lapw1 -band </b></div>
<div class="yui_3_2_0_20_133630103207754" style="font-family:
times new roman, new york, times, serif; font-size: 12pt;">
<div class="yui_3_2_0_20_133630103207761" style="font-family:
times new roman, new york, times, serif; font-size: 12pt;">
<div id="yiv322974892">
<div>
<div class="yui_3_2_0_20_133630103207773"
style="color:#000;background-color:#fff;font-family:times
new roman, new york, times, serif;font-size:12pt;">
<div class="yui_3_2_0_20_133630103207775"
style="font-family:times new roman, new york, times,
serif;font-size:12pt;">
<div class="yui_3_2_0_20_133630103207777"
style="font-family:times new roman, new york,
times, serif;font-size:12pt;">
<div id="yiv322974892">
<div>
<div class="yui_3_2_0_20_133630103207779"
style="color:#000;background-color:#fff;font-family:times
new roman, new york, times,
serif;font-size:12pt;">
<div class="yui_3_2_0_20_133630103207781"
style="font-family:times new roman, new
york, times, serif;font-size:12pt;">
<div class="yui_3_2_0_20_133630103207783"
style="font-family:times new roman, new
york, times, serif;font-size:12pt;">
<div id="yiv322974892">
<div>
<div
class="yui_3_2_0_20_133630103207785"
style="color:#000;background-color:#fff;font-family:times
new roman, new york, times,
serif;font-size:12pt;">
<div><br>
</div>
<div>Error in LAPW1<br>
'INILPW' - Invalid k-point file
on unit
4
<br>
'LAPW1' - INILPW aborted
unsuccessfully.</div>
<br>
Thank You so much for your
previous guidance.<br>
</div>
</div>
</div>
<br>
<br>
</div>
</div>
</div>
</div>
</div>
<br>
<br>
</div>
</div>
</div>
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</div>
<br>
<br>
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<br>
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</pre>
</blockquote>
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