Hi Xavier,<br>Thanks. I really appreciate the help.<br>Zubaer<br><br><div class="gmail_quote">On Fri, May 2, 2008 at 6:02 AM, Rocquefelte <<a href="mailto:Xavier.Rocquefelte@cnrs-imn.fr">Xavier.Rocquefelte@cnrs-imn.fr</a>> wrote:<br>
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Dear Zubaer,<br>
<br>
One very simple solution is first to check when the last file has been
modified (ls -altr). Then check the case.output1 file which contains
the data needed for spaghetti calculation. <br>
One way is to edit the file and another could be to do "grep K=
*.output1". It will show you the number of K points for which the
calculation has been done. Compare to your case.klist_band file in
order to estimate the time needed to finish the calculation. <br>
<br>
Regards<br>
<br>
Xavier<br>
<br>
<br>
zubaer a écrit :
<blockquote cite="http://mid51ec861d0804301152g2ec6e605t481b7b1f6505a385@mail.gmail.com" type="cite"><div><div></div><div class="Wj3C7c">Hi,<br>
<br>
I have been trying to calculate bandstructure of a 64-atom supercell. I
am running calculation using w2web interface after I got the lattice
parameters minimized. <br>
<br>
It's (x lapw1 -c -band) been running for 1 day. In my dayfile I dont
see any info regarding this calculation progress. Is there any way to
check the progress?<br>
<br>
Thanks,<br>
Zubaer<br>
<br>
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