<div dir="ltr">Thank you very much. Now I am able to run it successfully .</div><div class="gmail_extra"><br><div class="gmail_quote">On Sun, Jul 12, 2015 at 8:47 PM, Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div bgcolor="#FFFFFF" text="#000000">
<div>The BFO.inso file will not work,
because the X's should be replaced by a number [
<a href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10625.html" target="_blank">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10625.html</a>
].<div><div class="h5"><br>
<br>
On 7/12/2015 8:21 AM, Paresh Chandra Rout wrote:<br>
</div></div></div><div><div class="h5">
<blockquote type="cite">
<div dir="ltr">First of all thank you for the helpful suggestion.
According to your advice I ran the <b>x lapwso -p -up -c </b>and
got the following error
<div>
<div>ERROR IN OPENING UNIT: 54</div>
<div> FILENAME: </div>
<div><b> BFO.energydn</b>
</div>
<div> STATUS: old FORM:formatted </div>
<div>OPEN FAILED</div>
<div>0.038u 0.031s 0:00.13 46.1%<span style="white-space:pre-wrap"> </span>0+0k 2336+0io 8pf+0w</div>
</div>
<div><br>
</div>
<div>Again when I ran <b>x lapwso -p -dn -c ,</b> the error
wasERROR IN OPENING UNIT: 9</div>
<div> FILENAME: </div>
<div> ./<b>BFO.vector</b>
</div>
<div> STATUS: old FORM:unformatted</div>
<div>OPEN FAILED</div>
<div>0.036u 0.028s 0:00.07 71.4%<span style="white-space:pre-wrap"> </span>0+0k 0+0io 0pf+0w</div>
<div><br>
</div>
<div>The above two files BFO.energydn and BFO.vector does not
exist in working Directory instead I have many files like </div>
<div> BFO.energydn_1, BFO.energydn_2
and BFO.vectordn BFO.vectorup etc ..</div>
<div><br>
</div>
<div>I have attached the case.inso file. In the mean while I am
going through your third suggestion. I will let you know as
soon as the job get finished.</div>
<div><br>
</div>
<div><br>
</div>
<div>Kind Regards</div>
<div>Paresh</div>
</div>
<div class="gmail_extra"><br>
<div class="gmail_quote">On Sun, Jul 12, 2015 at 4:33 PM,
Lyudmila Dobysheva <span dir="ltr"><<a href="mailto:lyuka17@mail.ru" target="_blank">lyuka17@mail.ru</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><span>On 12.07.2015 12:31, Paresh Chandra Rout wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
And I have also attached some files of my system .<br>
</blockquote>
<br>
</span>
Still: > Gavin Abo > The given information is not
enough to help.<br>
<br>
1) File case.inso is under greatest suspicion, check and
send it.<br>
<br>
2) make in terminal<br>
x lapwso -p -up -c<br>
Check the output, it should be more clear.<br>
<br>
3) Try to make a cycle in a sequential mode, not parallel
(the diagnostic is usually more informative). For this you
can temporarily decrease number of k-points.<br>
<br>
Some comment to your struct file, formally it looks o'k, but
in xcrysden the structure seems not nice. Though, there are
many wonders in nature...<br>
<br>
Best regards<br>
Lyudmila Dobysheva<br>
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</blockquote>
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