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<p>In your post below, it looks like you only provided a part of the
case.dayfile.</p>
<p>What about stdout and the error files, were there any additional
information in them?</p>
<p>You will probably have different messages, but an example with
TiC is shown below. The TiC.struct parameters were taken from the
table under chapter 3.6 in the WIEN2k 13.1 usersguide currently on
the website (which is also used for WIEN2k 23.2) [
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf">http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf</a>
].<br>
</p>
<p><font color="#808080">username@computername:~/wiendata/TiC$</font>
ls<br>
TiC.struct<br>
<font color="#808080">username@computername:~/wiendata/TiC$</font>
init_lapw -b<br>
<font color="#808080">...</font><br>
init_lapw finished ok <br>
<font color="#808080">username@computername:~/wiendata/TiC$</font>
cat *.in0<br>
TOT XC_PBE
(XC_LDA,XC_PBESOL,XC_WC,XC_MBJ,XC_SCAN) <br>
NR2V IFFT (R2V)<br>
45 45 45 2.00 1 NCON 9 # min IFFT-parameters,
enhancement factor, iprint, NCON n<br>
<font color="#808080">username@computername:~/wiendata/TiC$</font>
gedit TiC.in0<br>
<font color="#808080">username@computername:~/wiendata/TiC$</font>
run_lapw &> stdout<br>
<font color="#808080">username@computername:~/wiendata/TiC$</font>
cat *.dayfile<br>
<br>
Calculating TiC in /home/username/wiendata/TiC<br>
on computername with PID 215842<br>
using WIEN2k_23.2 (Release 9/3/2022) in /home/username/WIEN2k<br>
<br>
<br>
start (Thu Jul 20 12:12:47 AM MDT 2023) with lapw0 (40/99
to go)<br>
<br>
cycle 1 (Thu Jul 20 12:12:47 AM MDT 2023) (40/99 to
go)<br>
<br>
> lapw0 (00:12:47) 0.020u 0.036s 0:00.05 100.0%
0+0k 0+24io 1pf+0w<br>
<br>
> <font color="#ff0000">stop error</font><br>
<br>
<font color="#808080">username@computername:~/wiendata/TiC$</font>
cat *.error<br>
<font color="#ff0000"> 'LAPW0' - Invalid XC_SWITCH set. Please
choose a valid potential option!</font><br>
<font color="#808080">username@computername:~/wiendata/TiC$ </font>cat
stdout <br>
<font color="#ff0000">Invalid potential option chosen (check
lapw0.error)</font><br>
grep: *scf1*: No such file or directory<br>
grep: lapw2*.error: No such file or directory<br>
grep: lapw2*.error: No such file or directory<br>
grep: lapw2*.error: No such file or directory<br>
grep: lapw2*.error: No such file or directory<br>
grep: lapw2*.error: No such file or directory<br>
grep: lapw2*.error: No such file or directory<br>
grep: lapw1*.error: No such file or directory<br>
grep: lapw1*.error: No such file or directory<br>
<br>
> <font color="#ff0000">stop error</font><br>
<font color="#808080">username@computername:~/wiendata/TiC$</font>
cat *.in0<br>
TOT XC_PB
(XC_LDA,XC_PBESOL,XC_WC,XC_MBJ,XC_SCAN) <br>
NR2V IFFT (R2V)<br>
45 45 45 2.00 1 NCON 9 # min IFFT-parameters,
enhancement factor, iprint, NCON n<br>
</p>
<p><font color="#0000ff">The cause of the above error is because
during the "gedit TiC.in0" step, while viewing the TiC.in0 file,
the "<font color="#ff8000">E</font>" in "<font color="#000000">XC_PB</font><font
color="#ff8000">E</font>" accidentally got removed and saved
as "<font color="#000000">XC_PB</font>".</font></p>
<div class="moz-cite-prefix">On 7/19/2023 5:24 PM, Brik Hamida
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAETGc--chsMbB4uSGTH06HrjfbWRjmDW7n6orpOPNL_VGbCFBw@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">
<div>Dear, <br>
</div>
<div><br>
</div>
<div>I installed wien2k_23.2 using this video : <a
href="https://www.youtube.com/watch?v=wXCbK2WuZVw"
moz-do-not-send="true" class="moz-txt-link-freetext">https://www.youtube.com/watch?v=wXCbK2WuZVw</a></div>
<div><br>
</div>
<div>When I do the run_lapw command in terminal or start SCF
cycle , I have this problem : </div>
<div>
<pre> start (20 جويلية, 2023 CET 12:13:45 ص) with lapw0 (40/99 to go)
cycle 1 (20 جويلية, 2023 CET 12:13:45 ص) (40/99 to go)
> lapw0 (00:13:45) 0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
error: command /home/hmd/wien2k23/lapw0 lapw0.def failed
> stop error</pre>
</div>
<div><br>
</div>
<div><br>
</div>
<div>Please can someone help me.Thanks <br>
</div>
<div><br>
</div>
<div>Best regards </div>
<div>Brik<br>
</div>
</div>
</blockquote>
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