<div dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">Now you have provided enough information. The information is in what you sent:</div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000"><span style="color:rgb(34,34,34)"><br></span></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000"><span style="color:rgb(34,34,34)">/home/hmd/wien2k23/lapw0: Command not found</span></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000"><br></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000">That means exactly what it says, it could not find or execute that file. Most likely one of: </div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000"><ul><li>lapw0 is not in that directory (try ls <span style="color:rgb(34,34,34)">/home/hmd/wien2k23/) </span></li><li><span style="color:rgb(34,34,34)">You did not export the PATH (do echo $PATH) and/or you have WIENROOT wrong</span></li><li><span style="color:rgb(34,34,34)">You don't have read rights to that file (try ls -l </span>
<span style="color:rgb(34,34,34)">/home/hmd/wien2k23/)</span></li></ul></div><div class="gmail_default" style="font-family:verdana,sans-serif;color:#000000"><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Jul 20, 2023 at 4:46 PM Brik Hamida <<a href="mailto:hmd.brik@gmail.com" target="_blank">hmd.brik@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>Dear <br></div><div>*) For initialisation : <br></div><div><br></div><div><pre style="margin:0em">Init_lapw finished ok !<br>hmd@hmd-host:~/WIEN2k/MoS2monolayer$ cat *.in0<br>TOT XC_PBE (XC_LDA,XC_PBESOL,XC_WC,XC_MBJ,XC_SCAN) <br>NR2V IFFT (R2V)<br> 32 32 300 2.00 1 NCON 9 # min IFFT-parameters, enhancement factor, iprint, NCON n<br><br><br></pre><pre style="margin:0em">*)When I run_lapw : <br></pre><pre style="margin:0em">1) show dayfile : <br></pre><div><pre>Calculating MoS2monolayer in /home/hmd/WIEN2k/MoS2monolayer
on hmd-host with PID 5078
using WIEN2k_23.2 (Release 9/3/2022) in /home/hmd/wien2k23
start (20 جويلية, 2023 CET 10:39:58 م) with lapw0 (40/99 to go)
cycle 1 (20 جويلية, 2023 CET 10:39:58 م) (40/99 to go)
> lapw0 (22:39:58) 0.000u 0.000s 0:00.00 0.0% 0+0k 0+8io 0pf+0w
error: command /home/hmd/wien2k23/lapw0 lapw0.def failed
> stop error<br><br></pre><pre>2) show STDOUT:<br>
/home/hmd/wien2k23/lapw0: Command not found.
grep: *scf1*: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw1*.error: No such file or directory
grep: lapw1*.error: No such file or directory
> stop error<br><br></pre><pre>*)Error files :
No error files .<br><br></pre><pre>Thanks<br></pre>
</div>
</div></div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at: <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
</blockquote></div><br clear="all"><div><br></div><span class="gmail_signature_prefix">-- </span><br><div dir="ltr" class="gmail_signature"><div dir="ltr">Professor Laurence Marks (Laurie)<br>Department of Materials Science and Engineering<br>Northwestern University<br><a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a><br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Györgyi</div></div>