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<div class="moz-cite-prefix">If you initialize and do a calculation
in /home/bruno/Wien2k/hpn_final, then "save_lapw -d
hpn_final_converged", you should not do a calculation in the
save_lapw subdirectory.<br>
<br>
See the WIEN2k usersguide. You can "restore_lapw -d
hpn_final_converged" and do further calculations in
/home/bruno/Wien2k/hpn_final.<br>
<br>
On 9/18/2015 5:18 PM, Bruno Landeros wrote:<br>
</div>
<blockquote cite="mid:SNT150-W669707555177A4D1499C3AA7590@phx.gbl"
type="cite">
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<div dir="ltr">Dear Gavin:<br>
<br>
I was trying to run inside a subdirectory created by the
save_lawp -d option. This subdirectory was
/home/bruno/Wien2k/hpn_final/hpn_final_converged.<br>
<br>
I tried to run in a previous directory which is
/home/bruno/Wien2k/hpn_final and it finally worked. Maybe
something was wrong with the full path of the subdirectory. <br>
<br>
Thank you very much! <br>
<br>
<div>
<hr id="stopSpelling">To: <a class="moz-txt-link-abbreviated" href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a><br>
From: <a class="moz-txt-link-abbreviated" href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a><br>
Date: Fri, 18 Sep 2015 16:24:59 -0600<br>
Subject: Re: [Wien] Problem with aim.def<br>
<br>
<div class="ecxmoz-cite-prefix">I do a quick test in a bash
($) terminal and this is what I get:<br>
<br>
username@computername:~/Desktop/test$ pwd<br>
/home/username/Desktop/test <font color="#ff0000"><=
What is your full path? If it is long, try shorting it.
Is your directory name "</font><font color="#ff0000">hpn_final_converged"
or this the name cutoff?</font> <br>
username@computername:~/Desktop/test$ rm aim.def <font
color="#ff0000"><= Maybe, remove the aim.def and try
again.</font><br>
username@computername:~/Desktop/test$ aim<br>
ERROR IN OPENING AIM.DEF !!!!<br>
AIM.DEF<br>
username@computername:~/Desktop/test$ aim aim.def<br>
ERROR IN OPENING AIM.DEF !!!!<br>
AIM.DEF<br>
username@computername:~/Desktop/test$ ls -l aim.def<br>
ls: cannot access aim.def: No such file or directory<br>
username@computername:~/Desktop/test$ x aim<br>
1.0u 0.0s 0:01.02 99.0% 0+0k 0+96io 0pf+0w <font
color="#ff0000"><= I experience no error here with "x
aim".</font><br>
username@computername:~/Desktop/test$ ls -l aim.def<br>
-rw-rw-r-- 1 username username 330 Sep 18 16:04 aim.def <font
color="#ff0000"><= What are your read permissions for
aim.def?</font><br>
username@computername:~/Desktop/test$ cat aim.def<br>
5 ,'test.inaim', 'old', 'formatted',0<br>
6 ,'test.outputaim', 'unknown','formatted',0<br>
8 ,'test.struct', 'old', 'formatted',0<br>
9 ,'test.clmsum', 'old', 'formatted',0<br>
21,'test.surf', 'unknown','formatted',0<br>
22,'test.crit', 'unknown','formatted',0<br>
77,'test.aim_surface_errors', 'unknown','formatted',0<br>
<br>
On 9/18/2015 1:28 PM, Bruno Landeros wrote:<br>
</div>
<blockquote
cite="mid:SNT405-EAS11495516409D78BE4CDCC5EA7590@phx.gbl">
<div>Dese Gabin:</div>
<div><br>
</div>
<div>I didn't craeate manually the aim.def. First I tried by
using</div>
<div><br>
</div>
<div>$ x aim </div>
<div><br>
</div>
<div>Then it was automatically generated but giving the same
mistake.</div>
<div><br>
</div>
<div><br>
</div>
<div>Then I tried:</div>
<div><br>
</div>
<div>$ x aim -d </div>
<div><br>
</div>
<div>To generate the aim.def and then run ir. But the
mistake was the same in either case:</div>
<div><br>
</div>
<div> ERROR IN OPENING AIM.DEF</div>
<div>AIM.DEF</div>
<div><br>
</div>
<div><br>
</div>
<div>Thank you for answering! Have you another suggestion of
what may be possibly wrong?</div>
<div><br>
</div>
<div>Greetings</div>
<div><br>
</div>
<div>Bruno</div>
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