<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><div>So in this case, can the run_kgenhf_lapw script a little bit simplifies as follows?</div><div><br></div><div>---------original run_kgenhf_lapw-----------</div><div>...</div><div><div>x kgen -hf</div><div>mv $file.klist $file.klist_ibz</div><div>mv $file.kgen $file.kgen_ibz</div><div><br></div><div>x kgen -fbz</div><div>mv $file.klist $file.klist_fbz</div><div>mv $file.kgen $file.kgen_fbz</div><div><br></div><div>if ( $redklist == 'redklist' ) then</div><div> echo " Choose a reduced k-mesh which is a subset of the original one."</div><div> sleep 1</div><div> x kgen -fbz</div><div> mv $file.klist $file.klist_rfbz</div><div>endif</div><div><br></div><div>cp $file.klist_ibz $file.klist</div><div>cp $file.kgen_ibz $file.kgen</div></div><div>---------------------end------------</div><div><br></div><div>---------------------simplified
run_kgenhf_lapw-------------- </div><div><div><div>x kgen -fbz</div><div>mv $file.klist $file.klist_fbz</div><div>mv $file.kgen $file.kgen_fbz</div><div><br></div><div><div>x kgen -hf</div><div>cp $file.klist $file.klist_ibz</div><div>cp $file.kgen $file.kgen_ibz</div></div><div><br></div><div><br></div><div>if ( $redklist == 'redklist' ) then</div><div> echo " Choose a reduced k-mesh which is a subset of the original one."</div><div> sleep 1</div><div> x kgen -fbz</div><div> mv $file.klist $file.klist_rfbz</div><div>endif</div><div>---------------------end-----------------------</div></div></div><div><br></div>Two last lines of the script can be removed if we exchange the locations of the x kgen -hf and x kgen -fbz and their associated mv commands. Right?<br><br>Sincerely yours,<br>S. Jalali<br>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<br>Saeid Jalali Asadabadi,<br>Department of Physics, Faculty of
Science,<br>University of Isfahan (UI), Hezar Gerib Avenue,<br>81744 Isfahan, Iran.<br>Phones:<br>Dep. of Phys. :+98-0311-793 2435<br>Office :+98-0311-793 4776<br>Fax No. :+98-0311-793 4800<br>E-mail :<a rel="nofollow" target="_blank" href="mailto:sjalali@phys.ui.ac.ir">sjalali@phys.ui.ac.ir</a><br> :<a rel="nofollow" target="_blank" href="mailto:sjalali@sci.ui.ac.ir">sjalali@sci.ui.ac.ir</a><br> :<a rel="nofollow" target="_blank" href="mailto:sjalali@mailaps.org">sjalali@mailaps.org</a><br> :<a rel="nofollow" target="_blank"
href="mailto:saeid.jalali.asadabadi@gmail.com">saeid.jalali.asadabadi@gmail.com</a><br> :<a rel="nofollow" target="_blank" href="mailto:s_jalali_a@yahoo.com">s_jalali_a@yahoo.com</a><br>Homepage :<a rel="nofollow" target="_blank" href="http://sci.ui.ac.ir/%7Esjalali">http://sci.ui.ac.ir/~sjalali</a><br>www :<a rel="nofollow" target="_blank" href="http://www.ui.ac.ir/">http://www.ui.ac.ir</a><br>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<br><br><br>--- On <b>Sat, 3/16/13, f.tran@pci.uzh.ch <i><f.tran@pci.uzh.ch></i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: f.tran@pci.uzh.ch <f.tran@pci.uzh.ch><br>Subject: [Wien] x kgen -hf <<<br>To: "A Mailing list for WIEN2k users"
<wien@zeus.theochem.tuwien.ac.at><br>Date: Saturday, March 16, 2013, 7:02 AM<br><br><div id="yiv931795218"><font face="Default Sans Serif,Verdana,Arial,Helvetica,sans-serif" size="2">-hf only means that in addition case.outputkgenhf is generated. The other files are not changed.<br><br>F. Tran<br><br><font color="#990099">-----wien-bounces@zeus.theochem.tuwien.ac.at wrote: -----</font><div style="padding-left:5px;"><div style="padding-right:0px;padding-left:5px;border-left:solid black 2px;">To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at><br>From: Saeid Jalali <br>Sent by: wien-bounces@zeus.theochem.tuwien.ac.at<br>Date: 03/16/2013 02:13PM<br>Subject: [Wien] x kgen -hf <<=?=>> x kgen<br><br><table border="0" cellpadding="0" cellspacing="0"><tbody><tr><td style="font:inherit;" valign="top"><div>Hi,</div>Are there any differences between x kgen -hf and x kgen? For a (one atomic) fcc case, the generated
case.klist, case.kgen, and case.outputkgen files by x kgen are found to be the same as those generated by x kgen -hf. When do the differences appeared?<br><br>Sincerely yours,<br>S. Jalali<br>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<br>Saeid Jalali Asadabadi,<br>Department of Physics, Faculty of Science,<br>University of Isfahan (UI), Hezar Gerib Avenue,<br>81744 Isfahan, Iran.<br>Phones:<br>Dep. of Phys. :+98-0311-793 2435<br>Office :+98-0311-793 4776<br>Fax No. :+98-0311-793 4800<br>E-mail :<a rel="nofollow" ymailto="mailto:sjalali@phys.ui.ac.ir" target="_blank" href="/mc/compose?to=sjalali@phys.ui.ac.ir">sjalali@phys.ui.ac.ir</a><br>
:<a rel="nofollow" ymailto="mailto:sjalali@sci.ui.ac.ir" target="_blank" href="/mc/compose?to=sjalali@sci.ui.ac.ir">sjalali@sci.ui.ac.ir</a><br> :<a rel="nofollow" ymailto="mailto:sjalali@mailaps.org" target="_blank" href="/mc/compose?to=sjalali@mailaps.org">sjalali@mailaps.org</a><br> :<a rel="nofollow" ymailto="mailto:saeid.jalali.asadabadi@gmail.com" target="_blank" href="/mc/compose?to=saeid.jalali.asadabadi@gmail.com">saeid.jalali.asadabadi@gmail.com</a><br> :<a rel="nofollow" ymailto="mailto:s_jalali_a@yahoo.com" target="_blank"
href="/mc/compose?to=s_jalali_a@yahoo.com">s_jalali_a@yahoo.com</a><br>Homepage :<a rel="nofollow" target="_blank" href="http://sci.ui.ac.ir/%7Esjalali">http://sci.ui.ac.ir/~sjalali</a><br>www
:<a rel="nofollow" target="_blank" href="http://www.ui.ac.ir/">http://www.ui.ac.ir</a><br>/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/_/<br></td></tr></tbody></table>
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