<html><head></head><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:16px"><div id="yui_3_16_0_ym19_1_1499959546604_8368" dir="ltr"><span>Dear Dr. Abo</span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_8385"><span><br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_8412"><span id="yui_3_16_0_ym19_1_1499959546604_8411">Thank you for your advises. <br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_13430"><span id="yui_3_16_0_ym19_1_1499959546604_8411">If I summarize the problem so far; I was trying to finish OPTIC for a system with sp,Hubbard-U and SO<br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_8456"><span id="yui_3_16_0_ym19_1_1499959546604_8411"><br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_13393"><span id="yui_3_16_0_ym19_1_1499959546604_14015">01. I had finished SCF with sp/U/SO. and continued OPTIC. When I run "opticc </span> -so -orb -up" , I got <span id="yui_3_16_0_ym19_1_1499959546604_14373">case.vectorsoup error </span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_8896"><span id="yui_3_16_0_ym19_1_1499959546604_9264">When I first get case.vectorsoup error in [</span><span id="yui_3_16_0_ym19_1_1499959546604_10084"><span id="yui_3_16_0_ym19_1_1499959546604_10085"><a rel="noreferrer" shape="rect" target="_blank" id="yui_3_16_0_ym19_1_1499959546604_10086" href="">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16062.html </a></span></span><span id="yui_3_16_0_ym19_1_1499959546604_10513">] , I didn't have </span><span id="yui_3_16_0_ym19_1_1499959546604_10515">set </span><span id="yui_3_16_0_ym19_1_1499959546604_10088">anything for "export SCRACH" in my bashrc or in job scripts. <br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_11721">With this the error was<br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_12161">ERROR:
</div><pre id="yui_3_16_0_ym19_1_1499959546604_12128">'OPTIC' - can't open unit: 10
'OPTIC' - filename: /scratch/10820461.yak.local/SCFsp-U-SO.vectorsoup
'OPTIC' - status: OLD form: UNFORMATTED</pre><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_12120"><span id="yui_3_16_0_ym19_1_1499959546604_10088">02<br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_10578"><span id="yui_3_16_0_ym19_1_1499959546604_10088">After your advice to set export SCRATCH=./ , we added export SCRACH=$PBS_O_WORKDIR in job scripts instead of putting it bashrc. And I tried a test case.</span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_12562"><span id="yui_3_16_0_ym19_1_1499959546604_14918">Now I have empty case.vectorsoup and case.vectorsodn files after completion of SCF with Hubbard-U and SO. With this I have </span><span id="yui_3_16_0_ym19_1_1499959546604_14919">/global/scratch/WIEN2k/NiO-14/NiO-14.vectorsoup</span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_15042"><span id="yui_3_16_0_ym19_1_1499959546604_14919"><br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_15164"><span id="yui_3_16_0_ym19_1_1499959546604_14919">With this I didn't continue with OPTIC because the files are empty and it will end up with error. I wanted to make it correct before checking for OPTIC<br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_14994"><span id="yui_3_16_0_ym19_1_1499959546604_14919">I checked xxxxxx.yak.local . It always change, when I submit jobs. (ex. If I finish SCF and then submit for SO, it changes)</span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_15328"><span id="yui_3_16_0_ym19_1_1499959546604_14919"><br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_15329"><span id="yui_3_16_0_ym19_1_1499959546604_14919">Thus, as you said, may be it is better to change to 17.1 version. Actually I feel tired going back and forth with all these troubles I had up to now. <br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_15820"><span id="yui_3_16_0_ym19_1_1499959546604_14919"><br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_15951"><span id="yui_3_16_0_ym19_1_1499959546604_14919">However, I would like to know if I want to try everything is a single job, Can I run all the commands below in a single script without going through interface. ( I mean just submitting it through terminal)<br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_16276"><span id="yui_3_16_0_ym19_1_1499959546604_14919"><br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_16327"><span id="yui_3_16_0_ym19_1_1499959546604_14919">runsp_lapw -p -so -dm -orb -ec 0.0001 -cc 0.001<br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_16720"><span id="yui_3_16_0_ym19_1_1499959546604_14919">x kgen -so </span><br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_17488">x lapw1 -up<br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_17489"> x lapw1 -dn</div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_17972">x lapwso -up<br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_17544">x lapw2 -so -fermi -up<br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_17542">x lapw2 -so -fermi -dn<br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_17974">x lcore -up<br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_17543">x lcore -dnx lapw1 -up <br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_17975">etc</div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_18032"><br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_18033">Thank you very much</div><div dir="ltr">Chami<br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_16314"><span id="yui_3_16_0_ym19_1_1499959546604_14919"><br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_15325"><span id="yui_3_16_0_ym19_1_1499959546604_14919"><br></span></div><div dir="ltr" id="yui_3_16_0_ym19_1_1499959546604_15819"><span id="yui_3_16_0_ym19_1_1499959546604_14919"></span><br id="yui_3_16_0_ym19_1_1499959546604_14920" clear="none">
</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 Wednesday, July 12, 2017 11:08 PM, Gavin Abo <gsabo@crimson.ua.edu> wrote:<br></font></div> <br><br> <div class="y_msg_container"><div id="yiv3043701788"><div>
"x lapwso -up" creates uplapwso.def with WIEN2k 17.1. If your using
WIEN2k 14.1 as mentioned at<br clear="none">
<br clear="none">
<a rel="nofollow" shape="rect" class="yiv3043701788moz-txt-link-freetext removed-link" target="_blank" href="">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16027.html</a><br clear="none">
<br clear="none">
it seems that version creates lapwso.def instead.<br clear="none">
<br clear="none">
Using "./" is not a requirement, I just suggested trying it. That
is because if I recall correctly, there were many reports in the
mailing list of users having frequent success using "./", but more
failures when using something else.<br clear="none">
<br clear="none">
Your post below seems to be a mix of unorganized information<span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160">.<br clear="none">
<br clear="none">
In the error message you previously reported [
<a rel="nofollow" shape="rect" class="yiv3043701788moz-txt-link-freetext removed-link" target="_blank" href="">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16062.html</a>
], there was:<br clear="none">
<br clear="none">
/scratch/10820461.yak.local/SCFsp-U-SO.vectorsoup<br clear="none">
<br clear="none">
It sounds like this is a result of </span></span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771">"export
SCRATCH=$PBS_O_WORKDIR" in your job script.<br clear="none">
<br clear="none">
</span>The </span></span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772">lapwso.def
should have the same path above, such that a non-empty </span></span></span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160">SCFsp-U-SO.vectorsoup
should exist in </span></span></span></span></span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160">/scratch/10820461.yak.local/
if it was generated by lapwso without any errors</span></span></span></span>.
<br clear="none">
<br clear="none">
However, the </span></span></span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772">lapwso.def</span></span></span>
in your post below has instead:<br clear="none">
<br clear="none">
</span></span></span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772">/global/scratch/WIEN2k/NiO-14/NiO-14.vectorsoup</span><br clear="none">
<br clear="none">
My guess is this is a result of <span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771">"export
SCRATCH=./" in your job script. It sounds like this may have
resolved the previous "can't open unit" error with
SCFsp-U-SO.vectorsoup. However, you say that the </span></span></span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5253">case.vectorsoup
and case.vectorsodn files now in your working directory are
empty. This sounds like some other error has occurred in
the running of "x lapwso -up". Did you check the *.error
files again to see if a new error appeared?<br clear="none">
<br clear="none">
The error when using </span>$PBS_O_WORKDIR, did you check
what $PBS_O_WORKDIR is (perhaps using echo or a similar
technique) each time you run a job script? Is it static and
always the same or does it</span></span></span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160">
change every time you run a new job </span></span></span></span></span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771">(e.g., the </span></span></span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160">10820461 in "</span></span></span></span></span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160">10820461.yak.local</span></span>"
stay the same or change to something else like
say "</span></span></span></span></span></span></span></span></span></span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160">10820465</span></span></span></span></span></span></span></span></span></span></span></span>")</span></span></span></span></span>?
If it is static, you should be able to run separate job
scripts for the scf and optic. However, if it is
dynamically set, I expect that both the scf cycles and
optic would need to happen in the same job script. If the
path changed for each new job and you ran scf and optic
calculation separately, this might possibly be what caused
the error. <br clear="none">
<br clear="none">
The updates page on the WIEN2k website [ </span></span></span></span></span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><a rel="nofollow" shape="rect" class="yiv3043701788moz-txt-link-freetext removed-link" target="_blank" href="">http://susi.theochem.tuwien.ac.at/reg_user/updates/</a></span></span></span></span></span>
] under VERSION_17.1: 30.6.2017 has:<br clear="none">
<br clear="none">
SRC_optic: opmain.f (SO calculations are labeled "SO" in
case.symmat/mat_diag files to fix normalization) <br clear="none">
<br clear="none">
So </span></span></span></span></span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160">with the optic SO
calculation that you trying to do</span></span></span></span></span>
[
<a rel="nofollow" shape="rect" class="yiv3043701788moz-txt-link-freetext removed-link" target="_blank" href="">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16062.html</a>
], this seems to indicate that the older WIEN2k versions
(like 14.1) may have a normalization issue. Therefore, it
is up to you if want to take on the risk and challenges
yourself of using an old version instead of using 17.1. I
mentioned before about some of the headaches of trying to
maintain an old version of the code by yourself [
<a rel="nofollow" shape="rect" class="yiv3043701788moz-txt-link-freetext removed-link" target="_blank" href="">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11071.html</a>
].<br clear="none">
</span></span></span></span></span><br clear="none">
<div class="yiv3043701788yqt4366220661" id="yiv3043701788yqtfd73137"><div class="yiv3043701788moz-cite-prefix">On 7/12/2017 11:10 AM, shaymlal
dayananda wrote:<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 id="yiv3043701788">
<div id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_2669">
<div id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_2668" style="color:#000;background-color:#fff;font-family:times new roman, new york, times, serif;font-size:16px;">
<div dir="ltr" id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5255"><span>Dear
Dr. Abo And Dr. Bhamu</span></div>
<div dir="ltr" id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5254"><span><br clear="none">
</span></div>
<div dir="ltr" id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5223"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5253">Thank
you very much for your comments and advices. I was
trying to follow your instructions and waited to see
their results before to reply.</span></div>
<div dir="ltr" id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5306"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5253"><br clear="none">
</span></div>
<div dir="ltr" id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5419"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5253">After
some efforts i could get case.vectorsoup,
case.vectorsodn files are now in my working directory.
But still they are empty. <br clear="none">
</span></div>
<div dir="ltr" id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5448"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5253"><br clear="none">
</span></div>
<div dir="ltr" id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5449"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5771">I
am using remote computers and thus I do not have much
freedom to do my own. Our supporter in the
supercomputers adviced me not to add "export
SCRATCH=./" as (according to him) it send the files to
logging nodes. Instead he added "export
SCRATCH=$PBS_O_WORKDIR" in my jobscript. This created
the empty </span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772">case.vectorsoup,
case.vectorsodn in the working directory.<br clear="none">
</span></div>
<div dir="ltr" id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6265"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><br clear="none">
</span></div>
<div dir="ltr" id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6051">
<div id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_2759"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6159">Could
you please tell me ; Is the requirement of </span><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_6160">"export
SCRATCH=./" </span>only to get those files to
working directory or does it has any issue with
those generated files. ??</span></div>
<div id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3620"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772">Further
I do not see uplapwso.def in the directory!!<br clear="none">
</span></div>
<div id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_2754"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><br clear="none">
</span></div>
<div id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_2784"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772">Part
of lapwso.def is below. <br clear="none">
</span></div>
<div id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3142"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><br clear="none">
</span></div>
<div id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3143"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><br clear="none">
</span></div>
<div dir="ltr" id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3072"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772">4
,'NiO-14.in1', 'old', 'formatted',0 <br id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3103" clear="none">
5 ,'NiO-14.inso', 'old', 'formatted',0<br id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3104" clear="none">
6 ,'NiO-14.outputso', 'unknown','formatted',0<br id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3105" clear="none">
8 ,'NiO-14.scfso', 'unknown','formatted',0<br id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3106" clear="none">
9
,'/global/scratch/WIEN2k/NiO-14/NiO-14.vectordn',
'old', 'unformatted',9000<br id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3107" clear="none">
10
,'/global/scratch/WIEN2k/NiO-14/NiO-14.vectorup',
'unknown', 'unformatted',9000<br id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3108" clear="none">
18,'NiO-14.vspdn', 'old','formatted',0<br id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3109" clear="none">
19,'NiO-14.vspup', 'unknown','formatted',0<br id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3110" clear="none">
20 ,'NiO-14.struct', 'old', 'formatted',0<br id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3111" clear="none">
22,'NiO-14.vnsdn', 'old','formatted',0<br id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3112" clear="none">
23,'NiO-14.vnsup', 'unknown','formatted',0<br id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3113" clear="none">
41,'/global/scratch/WIEN2k/NiO-14/NiO-14.vectorsodn',
'unknown','unformatted',9000<br id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3114" clear="none">
42,'/global/scratch/WIEN2k/NiO-14/NiO-14.vectorsoup',
'unknown','unformatted',9000<br id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3115" clear="none">
44,'NiO-14.vect1', 'unknown','unformatted',9000<br id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3116" clear="none">
45,'NiO-14.normsodn', 'unknown','formatted',0<br id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3117" clear="none">
</span></div>
<div dir="ltr" id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3693"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><br clear="none">
</span></div>
<div dir="ltr" id="yiv3043701788yui_3_16_0_ym19_1_1499879559172_3692"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772">Thank you in
advance.</span></div>
<div dir="ltr"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772"><br clear="none">
</span></div>
<div dir="ltr"><span id="yiv3043701788yui_3_16_0_ym19_1_1499878307665_5772">Chami<br clear="none">
</span></div>
</div>
</div>
</div>
</div>
</div>
</blockquote>
</div></div></div><div class="yqt4366220661" id="yqtfd01031">_______________________________________________<br clear="none">Wien mailing list<br clear="none"><a shape="rect" ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" class="removed-link" href="">Wien@zeus.theochem.tuwien.ac.at</a><br clear="none"><a shape="rect" target="_blank" class="removed-link" href="">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br clear="none">SEARCH the MAILING-LIST at: <a shape="rect" target="_blank" class="removed-link" href="">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>