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<p>Maybe it is a problem with your csh (or tcsh) version or the
script when copied might have gotten corrupted.</p>
<p>You might try "dos2unix run_deltagllb_lapw" [1,2] on the script
if you haven't already tried it to see if it helps or not.</p>
<p>You could also try the run_deltagllb_lapw.patch file at [3], but
the patch must be ran on the original WIEN2k 18.2 file from
WIEN2k_18.2.tar.</p>
<p>Worked fine for me with 64 bit Ubuntu 18.04.1 LTS and csh version
20110502-3:<br>
</p>
<p><font color="#999999">username@computername:~$</font> lsb_release
-a<br>
<font color="#999999">No LSB modules are available.<br>
Distributor ID: Ubuntu<br>
Description: <font color="#009900">Ubuntu 18.04.1 LTS</font><br>
Release: 18.04<br>
Codename: bionic<br>
username@computername:~$</font> dpkg -l csh<br>
<font color="#999999">Desired=Unknown/Install/Remove/Purge/Hold<br>
|
Status=Not/Inst/Conf-files/Unpacked/halF-conf/Half-inst/trig-aWait/Trig-pend<br>
|/ Err?=(none)/Reinst-required (Status,Err: uppercase=bad)<br>
||/ <font color="#009900">Name Version</font>
Architecture Description<br>
+++-==============-============-============-=================================<br>
ii <font color="#009900">csh 20110502-3</font>
amd64 Shell with C-like syntax<br>
username@computername:~$</font> cd $WIENROOT<br>
<font color="#999999">username@computername:~/WIEN2k$</font> wget
<a class="moz-txt-link-freetext" href="https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/18.2/run_deltagllb_lapw.patch">https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/18.2/run_deltagllb_lapw.patch</a><br>
<font color="#999999">...<br>
2018-12-02 18:21:23 (69.9 MB/s) - ‘run_deltagllb_lapw.patch’
saved [570/570]<br>
<br>
username@computername:~/WIEN2k$</font> patch -b
run_deltagllb_lapw run_deltagllb_lapw.patch <br>
<font color="#999999">patching file run_deltagllb_lapw<br>
username@computername:~/WIEN2k$</font> cd ~/wiendata/test<br>
Note: ~/wiendata/test above contains files after the "save_lapw"
step in section 4.5.11 in WIEN2k 18.2 usersguide (page 58) [4].<br>
<font color="#999999">username@computername:~/wiendata/test$</font>
run_deltagllb_lapw<br>
<font color="#999999">...<br>
STOP LAPW0 END<br>
6.2u 0.0s 0:06.28 99.5% 0+0k 0+432io 0pf+0w</font><br>
</p>
[1]
<a class="moz-txt-link-freetext" href="https://wiki.metacentrum.cz/wiki/FAQ/Job_submission#I_have_a_problem_concerning_submission_of_a_script_for_PBS.2C_I_am_obtaining_an_error_message:_.22.5EM:_command_not_found.22._What_is_the_reason_of_this_problem_and_how_can_I_solve_it.3F.3F">https://wiki.metacentrum.cz/wiki/FAQ/Job_submission#I_have_a_problem_concerning_submission_of_a_script_for_PBS.2C_I_am_obtaining_an_error_message:_.22.5EM:_command_not_found.22._What_is_the_reason_of_this_problem_and_how_can_I_solve_it.3F.3F</a><br>
[2] <a class="moz-txt-link-freetext" href="https://www.howtoinstall.co/en/ubuntu/xenial/dos2unix">https://www.howtoinstall.co/en/ubuntu/xenial/dos2unix</a><br>
[3] <a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Patches/tree/master/18.2">https://github.com/gsabo/WIEN2k-Patches/tree/master/18.2</a><br>
[4]
<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>
<p><br>
</p>
<div class="moz-cite-prefix">On 12/2/2018 2:45 PM, Wien2k User
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAHYowjHnCtAx8eM4_g8av2Q+DsgzZTWAu0ybq0WvoOrQT1TWqw@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">
<div dir="ltr">
<div>Dear Professor;</div>
<div>I used this file but I got the following errors:</div>
<div>:command not found.</div>
<div>:command not found. </div>
<div>:command not found.</div>
<div>set: Variable name must contain alphanumeric characters. <br>
</div>
<div>I tried to see what the error was but I could not correct
them</div>
</div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr">Le dim. 25 nov. 2018 à 18:12, <<a
href="mailto:tran@theochem.tuwien.ac.at"
moz-do-not-send="true">tran@theochem.tuwien.ac.at</a>> a
écrit :<br>
</div>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">Dear WIEN2k
users,<br>
<br>
For those who are interested in the GLLB-SC potential for<br>
the calculation of the band gap, I attached a modified<br>
version of the script run_deltagllb_lapw (used for the<br>
calculation of the discontinuity). It is necessary to use<br>
this new version of the script if the band structure or DOS<br>
is calculated just after run_deltagllb_lapw was executed,<br>
otherwise the results (for the BS or DOS) will be wrong.<br>
<br>
For more details about the GLLB-SC potential, see the<br>
user's guide or our recent paper:<br>
<a
href="https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.2.023802"
rel="noreferrer" target="_blank" moz-do-not-send="true">https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.2.023802</a><br>
<br>
F. Tran_______________________________________________<br>
</blockquote>
</div>
</blockquote>
<blockquote type="cite"
cite="mid:CAHYowjHnCtAx8eM4_g8av2Q+DsgzZTWAu0ybq0WvoOrQT1TWqw@mail.gmail.com"></blockquote>
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