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<div class="moz-cite-prefix">Hi Andrew <br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">one easy way to get the wavefunctions
in text format --but are you really sure that you want to do it
?-- is to <a moz-do-not-send="true"
href="http://www.quantum-espresso.org/Doc/user_guide/node11.html#SECTION00034050000000000000">compile
pw</a> with the support for hdf5 , there will be and hdf5 file
for each k-point, and you can convert them to text format format
using the h5dump program. <br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">h5dum -d evc prefix<k-index>.hdf5
<br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">it will printout a 2 dimensional
dataset ( the first index C convention in the band index, the
other one is the plane wave index) <br>
</div>
<div class="moz-cite-prefix">I hope it helps <br>
</div>
<div class="moz-cite-prefix">Pietro <br>
</div>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 9/17/20 8:31 AM, Andrew Xu wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CANSak1_ZGJB42SGccYzVi6haGMi2kjT4puXky8fAH9LL=HGjEA@mail.gmail.com">
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<div dir="ltr">Dear users,<br>
<br>
I'm trying to extract the wavefunctions in QE after running
pw.x, preferably in non-binary format. In versions less than 6,
these two links give me what I want (<a
href="https://pw-forum.pwscf.narkive.com/UnDfSmzu/how-to-use-the-wave-functions"
moz-do-not-send="true">https://pw-forum.pwscf.narkive.com/UnDfSmzu/how-to-use-the-wave-functions</a>,
<a
href="https://lists.quantum-espresso.org/pipermail/users/2011-June/020897.html"
moz-do-not-send="true">https://lists.quantum-espresso.org/pipermail/users/2011-June/020897.html</a>);
how can I do a similar thing for QE version 6? <br>
<br>
In particular (I'm using QE 6.3), I noticed the QExml_example in
~espresso/PP/ is missing in QE version 6, and when I do make
qexml.x in ~espresso/PP/, I get errors. There's a qexml.f90 in
Modules, but doing make qexml.f90, make qexml.o, make
qexml_module.mod don't do anything. <br>
<br>
Best,<br>
Andy</div>
<br>
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