<table cellspacing="0" cellpadding="0" border="0"><tr><td valign="top"><p dir="ltr">I really appreciate your prompt reply Sir.</p>
<p dir="ltr">The alloy actually displays half-metallic properties.<br>
I did not indicate nbnd in the 'scf' calculation but it was indicated in the 'nscf' calculation.</p>
<p dir="ltr">Rita.<br>
University of Benin</p>
<p dir="ltr"><a href="https://overview.mail.yahoo.com/mobile/?.src=Android">Sent from Yahoo Mail on Android</a></p>
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                            <b>
                                <span style="font-weight:bold">From:</span>
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                            omamuyovwiakemu@yahoo.com <omamuyovwiakemu@yahoo.com>;                            <br>
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                                <span style="font-weight:bold">To:</span>
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                            pw_forum@pwscf.org <pw_forum@pwscf.org>;                                                                             <br>
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                                <span style="font-weight:bold">Subject:</span>
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                            ISSUES WITH BANDS CALCULATION                            <br>
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                                <span style="font-weight:bold">Sent:</span>
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                            Mon, Jan 18, 2016 11:19:30 AM                            <br>
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                                        <td valign="top"><table cellspacing="0" cellpadding="0" border="0"><tr><td valign="top"><p dir="ltr">Dear QE users,</p>
<p dir="ltr">Pls I encountered a challenge while trying to plot the band structure for a binary alloy.<br>
I realize after using plotband.x interactively that the conduction bands(top bands) were not present on the <br>
plot. I increased the range but all no avail. I also discovered that conduction bands isn't available on the band file as expected. It's been impossible to get the band gap ( the difference between the valence and conduction bands). </p>
<p dir="ltr">Pls I will sincerely appreciate any comment on what to do to fix this problem.<br>
Thank you.<br></p>
<p dir="ltr">Jolayemi Omamuyovwi Rita(Mrs)<br>
Research Student<br>
Department of Physics<br>
University of Benin<br>
Nigeria.<br>
<a rel="nofollow" target="_blank" href="https://overview.mail.yahoo.com/mobile/?.src=Android">Sent from Yahoo Mail on Android</a></p>
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