<html>
<head>
<meta content="text/html; charset=windows-1252"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
Dear Sharma,<br>
<br>
please check again your input file. You are telling Wannier to deal
with 34 bands (num_bands=34) but in your .eig file there are
actually 92 bands! <br>
As the warning message suggests, 'If your pseudopotentials have
shallow core states remember to account for these electrons' and so
you might want to exclude some low-lying bands.<br>
<br>
Kind regards,<br>
Marco Gibertini <br>
<br>
<pre class="moz-signature" cols="72">--
****
Marco Gibertini
****************************************
Post-doctoral Research Scientist
Theory and Simulation of Materials
École Polytechnique Fédérale de Lausanne</pre>
<br>
<br>
<span style="color:rgb(204,51,204)"></span>
<div class="moz-cite-prefix">On 02/03/2015 05:58 AM, SRKC Sharma
Yamijala wrote:<br>
</div>
<blockquote
cite="mid:CAJkCsLkSw0nh1WWVtZ8xUcEB8XtKmBGXGFGZzDPdqnAYx3kR8A@mail.gmail.com"
type="cite">
<meta http-equiv="Content-Type" content="text/html;
charset=windows-1252">
<div dir="ltr"><br>
<div class="gmail_chip gmail_drive_chip"
style="width:396px;height:18px;max-height:18px;background-color:#f5f5f5;padding:5px;color:#222;font-family:arial;font-style:normal;font-weight:bold;font-size:13px;border:1px
solid #ddd;line-height:1"><a moz-do-not-send="true"
href="https://docs.google.com/file/d/0B7l7TJgy0hzhRk81aXp2a0QyOVE/edit?usp=drive_web"
target="_blank"
style="display:inline-block;overflow:hidden;text-overflow:ellipsis;white-space:nowrap;text-decoration:none;padding:1px
0px;border:none;width:100%"><img moz-do-not-send="true"
style="vertical-align: bottom; border: none;"
src="https://ssl.gstatic.com/docs/doclist/images/icon_10_generic_list.png"> <span
dir="ltr"
style="color:#15c;text-decoration:none;vertical-align:bottom">baruo3.eig</span></a></div>
<br clear="all">
<div>
<div class="gmail_signature">
<div dir="ltr">Dear Wannier developer,
<div><br>
</div>
<div>Wannier90 is complaining against reading the .eig
file. I couldn't find any mistake in my calculation.
Even I have added spaces between columns in the eig file
but couldn't find any reason for the error. Could you
please help me in this regard. </div>
<div><br>
</div>
<div>Below I have given the error and I have attached
input and *.eig files for your reference. If needed
please let me know, I will try to upload the *.amn and
*mmn files (mmn is ~ 4 GB, and hence, not attached here.
I can keep it in Gdrive if needed).</div>
<div><br clear="all">
<div>
<div dir="ltr"><span style="color:rgb(204,51,204)"><font
color="#000000">
<div dir="ltr"> Wannier90: Execution started on
2Feb2015 at 21:19:39 </div>
<div dir="ltr">Found a mismatch in baruo3.eig</div>
<div dir="ltr">Wanted band : 1 found band : 35</div>
<div dir="ltr">Wanted kpoint: 2 found kpoint: 1</div>
<div dir="ltr"> </div>
<div dir="ltr">A common cause of this error is
using the wrong</div>
<div dir="ltr">number of bands. Check your input
files.</div>
<div dir="ltr">If your pseudopotentials have
shallow core states remember</div>
<div dir="ltr">to account for these electrons.</div>
<div dir="ltr"> </div>
<div dir="ltr"> Exiting.......</div>
<div dir="ltr"> param_read: mismatch in
baruo3.eig</div>
<div><br>
</div>
Thanking you,</font></span></div>
<div dir="ltr"><span style="color:rgb(204,51,204)"><font
color="#000000">Sincerely,</font></span></div>
<div dir="ltr"><span style="color:rgb(204,51,204)"><font
color="#000000">Sharma.<br>
</font></span></div>
</div>
</div>
<span style="color:rgb(204,51,204)"><font color="#000000"><br>
<br>
<br>
<br>
<br>
<br>
</font>********************************************************</span><br>
<font><b style="color:rgb(51,51,255)">Chaitanya Sharma,</b></font><br>
<b><span style="font-family:'times new roman',serif">Prof.
Pati'</span></b>s group,<br>
<span style="color:rgb(56,118,29)">Chemistry and Physics
Materials unit</span>,<br>
<span style="color:rgb(255,0,0)">JNCASR</span>, BANGLORE,<br>
Lab:: (080-2208) <span style="color:rgb(0,0,255)">2581,
2809</span><br>
<a moz-do-not-send="true"
href="https://sites.google.com/site/sharmasrkcyamijala/"
target="_blank">https://sites.google.com/site/sharmasrkcyamijala/</a><br>
<span style="color:rgb(204,51,204)">*********************************************************</span><br>
</div>
</div>
</div>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
<pre wrap="">_______________________________________________
Wannier mailing list
<a class="moz-txt-link-abbreviated" href="mailto:Wannier@quantum-espresso.org">Wannier@quantum-espresso.org</a>
<a class="moz-txt-link-freetext" href="http://mailman.qe-forge.org/cgi-bin/mailman/listinfo/wannier">http://mailman.qe-forge.org/cgi-bin/mailman/listinfo/wannier</a>
</pre>
</blockquote>
<br>
<pre class="moz-signature" cols="72">
</pre>
</body>
</html>