<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt">Dear Eli, <br><br>First, are you familiar with Fortran? If not, please learn about formatted input/output. <br><br>The stars mean you use more than 9999 k-points that seems to be quite unreasonable. Use less k-points.<br><br>Bests,<br>Eyvaz.<br>-------------------------------------------------------------------<br>Prof. Eyvaz Isaev, <br>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden <br>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, <br>isaev@ifm.liu.se, eyvaz_isaev@yahoo.com<div><br></div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font face="Tahoma" size="2"><hr size="1"><b><span
style="font-weight: bold;">From:</span></b> Elie Moujaes <elie.moujaes@hotmail.co.uk><br><b><span style="font-weight: bold;">To:</span></b> pw_forum@pwscf.org<br><b><span style="font-weight: bold;">Sent:</span></b> Fri, July 30, 2010 3:35:46 PM<br><b><span style="font-weight: bold;">Subject:</span></b> [Pw_forum] STOP ERROR reading file header<br></font><br>
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Dear All, I am doing calculations for the band structure of bilayer graphene in the presence of an electric field. I reached the stage where the .DAT file was produced. However when i executed the plotband.x common using /espresso-4.2/bin/plotband.x and input"ed" the .DAT I got the error:<br>
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STOP ERROR reading file header.<br>
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When I checked the .DAT file I realized that the header is strange as it contains four stars (****) and looked like that:<br>
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<p class="MsoPlainText" style="margin: 0in 0in 0pt;"><span style="font-family: 'Courier New';" lang="EN-GB"><font size="3">&plot nbnd=<span style=""> </span>12, nks=**** /<br><span style=""> </span>0.000000<span style=""> </span>0.000000<span style=""> </span>0.000000<br><span style=""> </span>-18.176 -18.014<span style=""> </span>-6.915<span style=""> </span>-5.899<span style=""> </span>-1.571<span style=""> </span>-1.571<span style=""> </span>-1.546<span style=""> </span>-1.546<span style=""> </span>4.547<span style=""> </span>5.693<br><span style=""> </span>6.616<span style=""> </span>9.569<br><span style=""> </span>0.000000<span style=""> </span>0.010497<span style=""> </span>0.000000<br><span
style=""> </span>-18.174 -18.012<span style=""> </span>-6.913<span style=""> </span>-5.896<span style=""> </span>-1.579<span style=""> </span>-1.576<span style=""> </span>-1.554<span style=""> </span>-1.550<span style=""> </span>4.550<span style=""> </span>5.696<br><span style=""> </span>6.619<span style=""> </span>9.571<br><span style=""> </span>0.000000<span style=""> </span>0.020995<span style=""> </span>0.000000<br><span style=""> </span>-18.168 -18.006<span style=""> </span>-6.905<span style=""> </span>-5.889<span style=""> </span>-1.603<span style=""> </span>-1.589<span style=""> </span>-1.578<span style=""> </span>-1.564<span style=""> </span>4.558<span style=""> </span>5.704<br><span style="">
</span>6.626<span style=""> </span>9.578<br><span style=""> </span>0.000000<span style=""> </span>0.031492<span style=""> </span>0.000000<br><span style=""> </span>-18.158 -17.997<span style=""> </span>-6.893 <span style=""> </span>-5.878<span style=""> </span>-1.643<span style=""> </span>-1.611<span style=""> </span>-1.618<span style=""> </span>-1.586<span style=""> </span>4.571<span style=""> </span>5.717<br><span style=""> </span>6.639<span style=""> </span>9.589<br><span style=""> </span>0.000000<span style=""> </span>0.041989<span style=""> </span>0.000000</font><br></span></p>
<p class="MsoPlainText" style="margin: 0in 0in 0pt;"><span style="font-family: 'Courier New';" lang="EN-GB">...................</span></p>
<p class="MsoPlainText" style="margin: 0in 0in 0pt;"><span style="font-family: 'Courier New';" lang="EN-GB"></span> </p>
<p class="MsoPlainText" style="margin: 0in 0in 0pt;"><span style="font-family: 'Courier New';" lang="EN-GB">I tried to re-execute the bands.x command several times but in vain as the 4 stars re-appeared everytime. Does anyone know why is this occuring and how to treat it?</span></p>
<p class="MsoPlainText" style="margin: 0in 0in 0pt;"><span style="font-family: 'Courier New';" lang="EN-GB"></span> </p>
<p class="MsoPlainText" style="margin: 0in 0in 0pt;"><span style="font-family: 'Courier New';" lang="EN-GB">Thanks</span></p>
<p class="MsoPlainText" style="margin: 0in 0in 0pt;"><span style="font-family: 'Courier New';" lang="EN-GB"></span> </p>
<p class="MsoPlainText" style="margin: 0in 0in 0pt;"><span style="font-family: 'Courier New';" lang="EN-GB">Elie A. M.</span></p>
<p class="MsoPlainText" style="margin: 0in 0in 0pt;"><span style="font-family: 'Courier New';" lang="EN-GB">School of physics and astronomy</span></p>
<p class="MsoPlainText" style="margin: 0in 0in 0pt;"><span style="font-family: 'Courier New';" lang="EN-GB">University of Nottingham</span></p>
<p class="MsoPlainText" style="margin: 0in 0in 0pt;"><span style="font-family: 'Courier New';" lang="EN-GB">NG7 2RD</span></p>
<p class="MsoPlainText" style="margin: 0in 0in 0pt;"><span style="font-family: 'Courier New';" lang="EN-GB">UK</span></p> </div></div>
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