<div dir="auto">That is due to overlapping spheres. You need to use smaller spheres (in setrmt) when initializing, as explained in the user guide.<div dir="auto"><br><div data-smartmail="gmail_signature" dir="auto">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a></div></div></div><br><div class="gmail_quote"><div dir="ltr">On Tue, May 15, 2018, 12:34 AM Arvind Kumar <<a href="mailto:arvindkumar@arsd.du.ac.in">arvindkumar@arsd.du.ac.in</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">



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<div dir="ltr"><span style="font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration-style:initial;text-decoration-color:initial;color:rgb(0,0,0);font-family:Calibri,Arial,Helvetica,sans-serif;font-size:16px;background-color:rgb(255,255,255);float:none;display:inline">Dear
 Prof. Blaha and Wien2k users,</span><span style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration-style:initial;text-decoration-color:initial;background-color:rgb(255,255,255);float:none;display:inline"> </span>
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                     I am trying to run volume optimization calculation on Gd2Cu2In and other related compounds but it shows error during run scf</div>
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<div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:12.8px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration-style:initial;text-decoration-color:initial;background-color:rgb(255,255,255)">
<b>ERROR status in Gd2Cu2In_vol_ -10.0</b></div>
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<b>> stop error <br clear="all">
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<div><b>NN Error</b></div>
<div><b>LAPW0 END</b></div>
<div><b>hup: Command not found</b></div>
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<div>I am running these calculation by Wien2k 16.1 version compiled in HP laptop having 8GB RAM and 1 TB harddisk with mkl library with ifort+ icc compiler.</div>
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<div>thanks & regards, </div>
<div><br>
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<div>Dr. Arvind Kumar</div>
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<br clear="all">
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-- <br>
<div class="m_6406053079584605419gmail_signature" data-smartmail="gmail_signature">
<div dir="ltr">Dr. Arvind Kumar
<div>Assistant Professor</div>
<div>Department of Physics</div>
<div>Atma Ram Sanatan Dharma College</div>
<div>(University of Delhi)</div>
<div>Dhaula Kuan, New Delhi-110021</div>
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