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<p>You are right that w2w 2.0 has been included in WIEN2k since
16.1. The w2w webpage currently shows WIEN2k 16.1:<br>
</p>
<p><a class="moz-txt-link-freetext" href="https://wien2wannier.github.io/">https://wien2wannier.github.io/</a></p>
<p>Therefore, WIEN2k 16.1 to 18.2 have w2w 2.0. </p>
<p>So, it seems the w2w documentation (and perhaps some of the code)
has not been maintained to kept it up-to-date with the newer
versions of WIEN2k after 16.1.</p>
<p>If you check the SRC_w2w/NEWS file in WIEN2k 18.2, it looks like
the w2w code is at w2w 2.0.</p>
<p>In the github repository NEWS file, it looks like that is at w2w
2.0.1:<br>
</p>
<p><a class="moz-txt-link-freetext" href="https://github.com/wien2wannier/wien2wannier">https://github.com/wien2wannier/wien2wannier</a><br>
</p>
<p>However, it looks like the last repository change to the code is
currently Dec 23, 2016. The github repository shows in addition
to SRC_w2w that w2w depends on other packages such as SRC_trig.<br>
</p>
<p>If you check the $WIENROOT/write_inwf_lapw in WIEN2k 18.2 on line
29 it has:</p>
<p>__version__ = "$version: v1.0.0-273-gaf9ce6b$"</p>
<p>Line 29 in the github repository [
<a class="moz-txt-link-freetext" href="https://github.com/wien2wannier/wien2wannier/blob/master/SRC/write_inwf_lapw">https://github.com/wien2wannier/wien2wannier/blob/master/SRC/write_inwf_lapw</a>
] is:<br>
</p>
<p>__version__ = "$version: v2.0.0-7-g4c51be8$"<br>
</p>
<p>Clearly, the github repository write_inwf_lapw is the newer and
it was needed to avoid an error [ <span id="OLK_SRC_BODY_SECTION"><a
class="moz-txt-link-freetext"
href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16099.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16099.html</a></span>
].</p>
<p>Now, back to SCR_trig, the WIEN2k update page [
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/updates/">http://susi.theochem.tuwien.ac.at/reg_user/updates/</a> ] shows:</p>
<p>VERSION_18.1: 1.6.2018<br>
</p>
<p>SRC_trig: new utilities: energyrbz.f (for HF+SO+redklist option);
fmax.f (free format); read_vorb_files.f (adding case.vorbup_Bext
to case.vorbup)</p>
<p>VERSION_17.1: 30.6.2017 <br>
</p>
<p>SRC_trig: join_vectorfiles.f (+find_nloat.f): format change
f9.5-->f12.5 if nloat>3;</p>
<p>Since the SRC_trig changes in WIEN2k are more recent then w2w
github repo changes and since WIEN2k 18.2 will have SRC_trig fixes
that were made in 17.1 and 18.1. It think will be safer to use
WIEN2k 18.2 (with the previously mentioned write_inwf_lapw fix) as
w2w 1.0 might not work with WIEN2k 18.2 and WIEN2k 14.2 will not
have the 17.1 and 18.1 fixes to SRC_trig.<br>
</p>
<div class="moz-cite-prefix">On 9/9/2018 11:57 AM, Zhu, Jianxin
wrote:<br>
</div>
<blockquote type="cite" cite="mid:D7BAB93A.6C78E%25jxzhu@lanl.gov">
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<div>
<div>Hi Gavin, </div>
<div><br>
</div>
<div>I thought the w2w 2.0 had been included in wien2k 16.1.</div>
<div>In the Wien2k-Update information, it doesn’t mention there
are updates for w2w coming with wien2k 18.2/18.1/17.1.</div>
<div><br>
</div>
<div>Thanks, </div>
<div><br>
</div>
<div>Jianxin </div>
<div><br>
</div>
<div><br>
</div>
</div>
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<span style="font-weight:bold">From: </span>Wien <<a
href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at"
moz-do-not-send="true">wien-bounces@zeus.theochem.tuwien.ac.at</a>>
on behalf of Gavin Abo <<a
href="mailto:gsabo@crimson.ua.edu" moz-do-not-send="true">gsabo@crimson.ua.edu</a>><br>
<span style="font-weight:bold">Reply-To: </span>A Mailing
list for WIEN2k users <<a
href="mailto:wien@zeus.theochem.tuwien.ac.at"
moz-do-not-send="true">wien@zeus.theochem.tuwien.ac.at</a>><br>
<span style="font-weight:bold">Date: </span>Sunday, September
9, 2018 at 7:47 AM<br>
<span style="font-weight:bold">To: </span>"<a
href="mailto:wien@zeus.theochem.tuwien.ac.at"
moz-do-not-send="true">wien@zeus.theochem.tuwien.ac.at</a>"
<<a href="mailto:wien@zeus.theochem.tuwien.ac.at"
moz-do-not-send="true">wien@zeus.theochem.tuwien.ac.at</a>><br>
<span style="font-weight:bold">Subject: </span>Re: [Wien] A
problem with wien2wannier<br>
</div>
<div><br>
</div>
<div>
<div text="#000000" bgcolor="#FFFFFF">Which WIEN2k and
wien2wannier (w2w) version is that error from? Looks like
it might be from WIEN2k 14.2 and w2w 1.0.
<p>Many changes to WIEN2k [1] and w2w [2] have been made
since then (which fixed bugs that existed in the old
versions). Have you tried the latest WIEN2k 18.2 and w2w
2.0?</p>
Although, you may need to patch WIEN2k 18.2 for a few cases
[3], and it looks like the write_inwf_lapw file for w2w in
WIEN2k 18.2 might still have the same bug that existed in
17.1. If so, I think the same 17.1 fix [4] will still work
in 18.2.<br>
<br>
[1] <a class="moz-txt-link-freetext"
href="http://susi.theochem.tuwien.ac.at/reg_user/updates/"
moz-do-not-send="true">
http://susi.theochem.tuwien.ac.at/reg_user/updates/</a><br>
[2] <a class="moz-txt-link-freetext"
href="https://github.com/wien2wannier/wien2wannier/blob/master/NEWS"
moz-do-not-send="true">
https://github.com/wien2wannier/wien2wannier/blob/master/NEWS</a><br>
[3] <a class="moz-txt-link-freetext"
href="https://github.com/gsabo/WIEN2k-Patches/tree/master/18.2"
moz-do-not-send="true">
https://github.com/gsabo/WIEN2k-Patches/tree/master/18.2</a><br>
[4] <a class="moz-txt-link-freetext"
href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16099.html"
moz-do-not-send="true">
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16099.html</a><br>
<br>
<div class="moz-cite-prefix">On 9/9/2018 6:10 AM, 倪昊旸 wrote:<br>
</div>
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cite="mid:1B6BB0D51FF823489796DA6A46FEC450CE50FE6F@DAGNODE3">
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<p class="MsoNormal">Dear all:</p>
<p class="MsoNormal"> When I initialize my
calculation with wien2wannier. Such error always
occurs when I execute write_win, no matter what
parameters I choose before</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal" style="margin-left:.5in">forrtl:
severe (59): list-directed I/O syntax error, unit -5,
file Internal List-Directed Read</p>
<p class="MsoNormal" style="margin-left:.5in">Image
PC Routine Line
Source
</p>
<p class="MsoNormal" style="margin-left:.5in">write_win_backend
00000000004206A6 Unknown Unknown
Unknown</p>
<p class="MsoNormal" style="margin-left:.5in">write_win_backend
0000000000446730 Unknown Unknown
Unknown</p>
<p class="MsoNormal" style="margin-left:.5in">write_win_backend
000000000041234A kpoints_mp_get_km 1387
util_w2w.F</p>
<p class="MsoNormal" style="margin-left:.5in">write_win_backend
00000000004036FB MAIN__ 109
write_win_backend.f</p>
<p class="MsoNormal" style="margin-left:.5in">write_win_backend
0000000000402B2E Unknown Unknown
Unknown</p>
<p class="MsoNormal" style="margin-left:.5in">libc-2.23.so
00002B4E4F250830 __libc_start_main Unknown
Unknown</p>
<p class="MsoNormal" style="margin-left:.5in">write_win_backend
0000000000402A29 Unknown Unknown
Unknown</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Basically the parameter is:<o:p></o:p></p>
<p class="MsoNormal">4*4*4 kmesh, no shifting; band 53
55, 1: dt2g<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Even I tried different projection,
different site, different band index, the error still
occurs.
<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Can anyone tell me what cause this
error?<o:p></o:p></p>
<p class="MsoNormal">Thank you<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Haoyang Ni</p>
</div>
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<blockquote type="cite" cite="mid:D7BAB93A.6C78E%25jxzhu@lanl.gov">
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