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<p>The write_inwf_lapw script was buggy in versions, such as WIEN2k
17.1 [1], that came before WIEN2k 19.1 as shown on the WIEN2k
updates page [2] by:<br>
</p>
<p><b>VERSION_19.1: 17.6.2019</b></p>
<p><b>write_inwf_lapw</b><b>:</b> update for spinpolarization</p>
<p>It is recommended to use WIEN2k 19.2. You may also want to apply
the modules_rc.patch for WIEN2k 19.2 that should be available at
[3] if you need more than 1000 bands with wien2wannier.<br>
</p>
[1]
<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><br>
[2] <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><br>
[3] <a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Patches/tree/master/19.2">https://github.com/gsabo/WIEN2k-Patches/tree/master/19.2</a><br>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix"><br>
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<div class="moz-cite-prefix">On 7/22/2020 7:34 AM, Aaron Jung wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAHYjdXjrOa9H+7WKExB7XackW4+MghViuoRaTjSZ7TZONegBWg@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">Dear developer and users,
<div><br>
</div>
<div><br>
</div>
<div>Hello,</div>
<div>I am performing the DFT calculation using wien2k v17.1.</div>
<div><br>
</div>
<div>For Wannierized calculation,</div>
<div>I have a problem.</div>
<div><br>
</div>
<div>When run write_inwf_lapw, there is an error message like
below,</div>
<div><br>
</div>
<p class="gmail-p1"
style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo;color:rgb(0,0,0)"><span
class="gmail-s1"
style="font-variant-ligatures:no-common-ligatures">write_inwf_lapw</span></p>
<p class="gmail-p1"
style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo;color:rgb(0,0,0)"><span
class="gmail-s1"
style="font-variant-ligatures:no-common-ligatures"><span
class="gmail-Apple-converted-space"> </span>File
"/home/Programs/wien2k/wien2k_v17.1/intel-18/write_inwf_lapw",
line 58</span></p>
<p class="gmail-p1"
style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo;color:rgb(0,0,0)"><span
class="gmail-s1"
style="font-variant-ligatures:no-common-ligatures"><span
class="gmail-Apple-converted-space"> </span>return
np.array([float (s) for s in l[12:22], l[25:35], l[38:48]])</span></p>
<p class="gmail-p1"
style="margin:0px;font-variant-numeric:normal;font-variant-east-asian:normal;font-stretch:normal;font-size:14px;line-height:normal;font-family:Menlo;color:rgb(0,0,0)"><span
class="gmail-s1"
style="font-variant-ligatures:no-common-ligatures"><span
class="gmail-Apple-converted-space">
</span>^</span></p>
<div><span
style="font-variant-ligatures:no-common-ligatures;color:rgb(0,0,0);font-family:Menlo;font-size:14px">SyntaxError:
invalid syntax</span></div>
<div><br>
</div>
<div>How can I solve the problem?</div>
<div>Please give a comment.</div>
<div><br>
</div>
<div>Thanks,</div>
<div>Myung-Chul. <br>
</div>
</div>
</blockquote>
<blockquote type="cite"
cite="mid:CAHYjdXjrOa9H+7WKExB7XackW4+MghViuoRaTjSZ7TZONegBWg@mail.gmail.com"></blockquote>
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