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<div class="moz-cite-prefix">Wrong input [
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11451.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11451.html</a>
] can include a bad struct file.<br>
<br>
On 10/26/2015 2:14 AM, sikander Azam wrote:<br>
</div>
<blockquote
cite="mid:CAK4Azjf_A1PXvUm1qbyxX12Nfi4WEe+33u3kQc-2nD_7z_BNXw@mail.gmail.com"
type="cite">
<div dir="ltr">Dear
<div>Yesterday the problem with the <span style="color:rgb(160,30,30);font-family:courier,'courier new',monospace;font-size:14px;line-height:19.6px;white-space:pre-wrap">run -in1new 1 </span>has
been solved but now I am facing this problem, </div>
<div><br>
</div>
<div><span style="color:rgb(55,62,77);font-family:helvetica,arial,sans-serif;font-size:12px;line-height:12.288px;white-space:pre-wrap;background-color:rgb(246,247,248)">Error in LAPW2
'FERMI' - EFERMI OUT OF ENERGY RANGE
'FERMI' - STOP IN EFI
'FERMI' - ENERGY OF LOWER BOUND : -1.27904
'FERMI' - NUMBER OF STATES AT THE LOWER BOUND : 0.00000
'FERMI' - ENERGY OF UPPER BOUND : 1.87113
'FERMI' - NUMBER OF STATES AT THE UPPER BOUND : 18.00000
'FERMI' - ADD 18.00000
'FERMI' - SOS 0.0000.0000.0000.0000.0001.0000.0000.0000.0000.750
'FERMI' - NOS **************************************************</span><br>
</div>
<div>please help me in this regard.<br>
Regards<br>
SIkander<span style="color:rgb(55,62,77);font-family:helvetica,arial,sans-serif;font-size:12px;line-height:12.288px;white-space:pre-wrap;background-color:rgb(246,247,248)">
</span></div>
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<div class="gmail_extra"><br>
<div class="gmail_quote">On Sun, Oct 25, 2015 at 10:58 AM,
sikander Azam <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:sikander.physicst@gmail.com" target="_blank">sikander.physicst@gmail.com</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr">Dear Sir <span
style="font-size:12.8px;font-weight:bold;white-space:nowrap">Gavin
Abo</span>
<div><span
style="font-size:12.8px;font-weight:bold;white-space:nowrap">Thanks
sir for your help.</span></div>
<div><span
style="font-size:12.8px;font-weight:bold;white-space:nowrap">Regards</span></div>
<span class="HOEnZb"><font color="#888888">
<div><span
style="font-size:12.8px;font-weight:bold;white-space:nowrap">Sikander</span></div>
</font></span></div>
<div class="gmail_extra"><br>
<div class="gmail_quote">
<div>
<div class="h5">On Sun, Oct 25, 2015 at 6:55 PM, Gavin
Abo <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:gsabo@crimson.ua.edu"
target="_blank">gsabo@crimson.ua.edu</a>></span>
wrote:<br>
</div>
</div>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<div class="h5">
<div bgcolor="#FFFFFF" text="#000000">
<div>Search the mailing list archive [ <a
moz-do-not-send="true"
href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/"
target="_blank"><a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/</a></a>
].<br>
<br>
When E-bottom and E-top are both -200, that
typically indicates that something is likely
wrong with the struct file [ <a
moz-do-not-send="true"
href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10860.html"
target="_blank"><a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10860.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10860.html</a></a>
].
<div>
<div><br>
<br>
On 10/25/2015 11:34 AM, sikander Azam
wrote:<br>
</div>
</div>
</div>
<div>
<div>
<blockquote type="cite">
<div dir="ltr">Dear All
<div>Please help me in fixing the
following error</div>
<div><span style="color:rgb(20,24,35);font-family:helvetica,arial,sans-serif;font-size:13px;line-height:19.9333px;white-space:pre-wrap">** Error in Parallel LAPW1
** LAPW1 STOPPED at Sun Oct 25 18:30:40 CET 2015
** check ERROR FILES!
Error in LAPW1
'SELECT' - no energy limits found for atom 1 L= 0
'SELECT' - E-bottom -200.00000 E-top -200.00000
Error in LAPW1
'SELECT' - no energy limits found for atom 1 L= 0
'SELECT' - E-bottom -200.00000 E-top -200.00000
Error in LAPW1
'SELECT' - no energy limits found for atom 1 L= 0
'SELECT' - E-bottom -200.00000 E-top -200.00000
Error in LAPW1
'SELECT' - no energy limits found for atom 1 L= 0
'SELECT' - E-bottom -200.00000 E-top -200.00000</span><br>
</div>
<div><span style="color:rgb(20,24,35);font-family:helvetica,arial,sans-serif;font-size:13px;line-height:19.9333px;white-space:pre-wrap">Regards</span></div>
<div><span style="color:rgb(20,24,35);font-family:helvetica,arial,sans-serif;font-size:13px;line-height:19.9333px;white-space:pre-wrap">SIkander</span></div>
</div>
</blockquote>
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