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<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;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline"> </span><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;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial">                     I am trying to run volume optimization calculation on Gd2Cu2In and other related compounds but it shows error during run scf</div><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;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><br></div><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;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>ERROR status in Gd2Cu2In_vol_ -10.0</b></div><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;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><b>> stop error <br clear="all"></b><div><b><br></b></div><div><b>NN Error</b></div><div><b>LAPW0 END</b></div><div><b>hup: Command not found</b></div><div><br></div><div><br></div><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><div><br></div><div><br></div><div>thanks & regards, </div><div><br></div><div>Dr. Arvind Kumar</div><div class="gmail-yj6qo gmail-ajU" style="outline:none;padding:10px 0px;width:22px;margin:2px 0px 0px"><div id="gmail-:1gr" class="gmail-ajR" tabindex="0" style="background-color:rgb(241,241,241);border:1px solid rgb(221,221,221);clear:both;line-height:6px;outline:none;width:20px"><img class="gmail-ajT" src="https://ssl.gstatic.com/ui/v1/icons/mail/images/cleardot.gif" style="background: url("//ssl.gstatic.com/ui/v1/icons/mail/ellipsis.png") no-repeat; height: 8px; opacity: 0.3; width: 20px;"></div></div></div>

<br clear="all"><div><br></div>-- <br><div class="gmail_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></div></div>
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