<html><head></head><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:16px"><div dir="ltr"><span>Dear Dr. Tran and Dr. G.Abo</span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1544382310791_7905"><span><br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1544382310791_8020"><span>Thank you for your reply. <br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1544382310791_7907"><span id="yui_3_16_0_ym19_1_1544382310791_7961">I noticed in :log that it has already completed with "Sat Dec 8 19:20:32 EST 2018> (x) lapw2 -all .5671450153 .5672550153"</span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1544382310791_7993"><span id="yui_3_16_0_ym19_1_1544382310791_7961"><br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1544382310791_7959"><span><br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1544382310791_7909"><span>Thank you<br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1544382310791_8019"><span><br></span></div><div dir="ltr"><span>Shyam</span></div> <div class="qtdSeparateBR"><br><br></div><div class="yahoo_quoted" style="display: block;"> <div style="font-family: times new roman, new york, times, serif; font-size: 16px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div dir="ltr"><font size="2" face="Arial"> On Sunday, December 9, 2018 9:45 AM, Gavin Abo <gsabo@crimson.ua.edu> wrote:<br></font></div> <br><br> <div class="y_msg_container"><div id="yiv2081064790"><div>
<div>FYI, that error is probably because X and Y have not been
replaced by numbers like:</div>
<div>x lapw2 -all 0.691 0.692</div>
<div>For the X and Y values used in your case, you might try checking
the :log file after running "run_deltagllb_lapw".</div>
<div>You will probably see something different from but similar to:</div>
<div>> (run_lapw) options: -deltaglib -i 1 -NI</div>
<div>...</div>
<div>(x) lapw2 -all .6936650084 .6937750084</div><div class="yiv2081064790yqt2220258426" id="yiv2081064790yqtfd61644"><br clear="none">
</div><div class="yiv2081064790yqt2220258426" id="yiv2081064790yqtfd98945">
<div>...<br clear="none">
</div>
<blockquote type="cite">
<div style="color:#000;background-color:#fff;font-family:times new roman, new york, times, serif;font-size:16px;">
<div dir="ltr" id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_9642">
<div dir="ltr" id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_10008"><span id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_9643">But as per the
userguide (page 58), next I tried "x lapw2 -all X Y" and
it crashed.</span></div>
</div>
</div>
</blockquote>
<blockquote type="cite">
<div style="color:#000;background-color:#fff;font-family:times new roman, new york, times, serif;font-size:16px;">
<div dir="ltr" id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_9642">
<div dir="ltr" id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_10204"><span id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_9643">[ADC@login2
MgO]$ x lapw2 -all X Y<br id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_10193" clear="none">
forrtl: severe (64): input conversion error, unit 5, file
/MgO/MgO.in2<br id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_10194" clear="none">
Image PC Routine
Line Source<br id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_10195" clear="none">
lapw2 00000000004888FE Unknown
Unknown Unknown<br id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_10196" clear="none">
lapw2 00000000004B1648 Unknown
Unknown Unknown<br id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_10197" clear="none">
lapw2 0000000000456579
MAIN__ 330 lapw2_tmp_.F<br id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_10198" clear="none">
lapw2 00000000004046AE Unknown
Unknown Unknown<br id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_10199" clear="none">
libc.so.6 00002AAD499612E0 Unknown
Unknown Unknown<br id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_10200" clear="none">
lapw2 00000000004045AA Unknown
Unknown Unknown<br id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_10201" clear="none">
0.005u 0.017s 0:00.04 25.0% 0+0k 32520+16io 94pf+0w<br id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_10202" clear="none">
error: command
/home/software/Build_WIEN2k_18.2_M01/bin/lapw2 lapw2.def
failed<br id="yiv2081064790yui_3_16_0_ym19_1_1544315038133_10203" clear="none">
</span></div>
</div>
</div>
</blockquote>
<blockquote type="cite">
</blockquote>
</div></div></div><div class="yqt2220258426" id="yqtfd53871">_______________________________________________<br clear="none">Wien mailing list<br clear="none"><a shape="rect" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br clear="none"><a shape="rect" href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br clear="none">SEARCH the MAILING-LIST at: <a shape="rect" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br clear="none"></div><br><br></div> </div> </div> </div></div></body></html>