<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">That means that somewhere you told one of the executables non to compute the bands you need. Maybe, if you attach the input and/or the output files, it can be easier to find a solution for you problem.<div class=""><br class=""></div><div class="">Giovanni</div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 18 Jan 2016, at 13:28, <a href="mailto:omamuyovwiakemu@yahoo.com" class="">omamuyovwiakemu@yahoo.com</a> wrote:</div><br class="Apple-interchange-newline"><div class=""><table cellspacing="0" cellpadding="0" border="0" class=""><tbody class=""><tr class=""><td valign="top" class=""><p dir="ltr" class="">I really appreciate your prompt reply Sir.</p><p dir="ltr" class="">The alloy actually displays half-metallic properties.<br class="">
I did not indicate nbnd in the 'scf' calculation but it was indicated in the 'nscf' calculation.</p><p dir="ltr" class="">Rita.<br class="">
University of Benin</p><p dir="ltr" class=""><a href="https://overview.mail.yahoo.com/mobile/?.src=Android" class="">Sent from Yahoo Mail on Android</a></p>
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<span style="font-weight:bold" class="">From:</span>
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<a href="mailto:omamuyovwiakemu@yahoo.com" class="">omamuyovwiakemu@yahoo.com</a> <<a href="mailto:omamuyovwiakemu@yahoo.com" class="">omamuyovwiakemu@yahoo.com</a>>; <br class="">
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<a href="mailto:pw_forum@pwscf.org" class="">pw_forum@pwscf.org</a> <<a href="mailto:pw_forum@pwscf.org" class="">pw_forum@pwscf.org</a>>; <br class="">
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<span style="font-weight:bold" class="">Subject:</span>
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ISSUES WITH BANDS CALCULATION <br class="">
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<span style="font-weight:bold" class="">Sent:</span>
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Mon, Jan 18, 2016 11:19:30 AM <br class="">
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<td valign="top" class=""><table cellspacing="0" cellpadding="0" border="0" class=""><tbody class=""><tr class=""><td valign="top" class=""><p dir="ltr" class="">Dear QE users,</p><p dir="ltr" class="">Pls I encountered a challenge while trying to plot the band structure for a binary alloy.<br class="">
I realize after using plotband.x interactively that the conduction bands(top bands) were not present on the <br class="">
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" class="">Pls I will sincerely appreciate any comment on what to do to fix this problem.<br class="">
Thank you.<br class=""></p><p dir="ltr" class="">Jolayemi Omamuyovwi Rita(Mrs)<br class="">
Research Student<br class="">
Department of Physics<br class="">
University of Benin<br class="">
Nigeria.<br class="">
<a rel="nofollow" target="_blank" href="https://overview.mail.yahoo.com/mobile/?.src=Android" class="">Sent from Yahoo Mail on Android</a></p>
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-- <br class=""><br class="">Giovanni Cantele, PhD<br class="">CNR-SPIN<br class="">c/o Dipartimento di Fisica<br class="">Universita' di Napoli "Federico II"<br class="">Complesso Universitario M. S. Angelo - Ed. 6<br class="">Via Cintia, I-80126, Napoli, Italy<br class="">e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it" class="">giovanni.cantele@spin.cnr.it</a><br class="">Phone: +39 081 676910<br class="">Skype contact: giocan74<br class=""><br class="">ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" class="">http://www.researcherid.com/rid/A-1951-2009</a><br class="">Web page: <a href="http://people.na.infn.it/~cantele" class="">http://people.na.infn.it/~cantele</a><br class="">
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