<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 class="" style="white-space:pre"> </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 class="" style="white-space:pre"> </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 class="">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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