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<p>Dear Carissa,</p>
<p>Exactly, you don't have to set the shell_list variable anymore.
Setting the nnkpts block is already implemented, just use the
"wannier90_full" k-points function instead of "wannier90". You can
have a look at <a moz-do-not-send="true"
href="https://github.com/Z2PackDev/Z2Pack/blob/master/2.1.x/examples/fp/Bi_qe_6/run.py">this
example</a> with Quantum Espresso that uses this interface.</p>
<p>Best regards,</p>
<p>Dominik<br>
</p>
<br>
<div class="moz-cite-prefix">On 03.08.2017 14:47, Carissa Wu wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAAnuLH7j99YtZAZWzPexnwbxOTCoTDSw+mLWn3mmYbXYzNeQ6A@mail.gmail.com">
<div dir="ltr">
<div>Dear Dominik,</div>
<div><br>
</div>
Thank you so much, that was the problem. I was actually using
Wannier90 version 2.0; I will try to reinstall version 2.1.
<div><br>
</div>
<div>Regarding nnkpts, does this mean I do not have to set the
variable shell_list to 1 in my wannier90.win file anymore? And
simply implement the nnkpts block in my python code instead?</div>
<div><br>
</div>
<div>Thanks,</div>
<div><br>
</div>
<div>Carissa</div>
</div>
<div class="gmail_extra"><br>
<div class="gmail_quote">On Thu, Aug 3, 2017 at 3:41 AM, Dominik
Gresch <span dir="ltr"><<a
href="mailto:greschd@phys.ethz.ch" target="_blank"
moz-do-not-send="true">greschd@phys.ethz.ch</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
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<p>Dear Carissa,</p>
<p>In Wannier90 2.1, the skip_b1_tests input variable is
indeed implemented. Can you double-check in the Wannier
output file that this is the version you are running?
ABINIT can be sneaky about downloading / installing its
"fallback" Wannier90 version during the install.</p>
<p>It's also worth noting that with Wannier90 2.1, you
should no longer need the 'skip_b1_tests' input
variable. Instead, you can let Z2Pack write the 'nnkpts'
block, which explicitly specifies the overlaps to be
computed. There relevant documentation can be found <a
href="http://z2pack.ethz.ch/doc/2.1/tutorial/system.html#wannier90-2-1-and-newer"
target="_blank" moz-do-not-send="true">here</a>.</p>
<p>Best regards,</p>
<p>Dominik<br>
</p>
<div>
<div class="h5"> <br>
<div class="m_-6490375038261458118moz-cite-prefix">On
03.08.2017 02:21, Carissa Wu wrote:<br>
</div>
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<blockquote type="cite">
<div>
<div class="h5">
<div dir="ltr">Hello,
<div><br>
</div>
<div>I am a new user with Wannier90. I am
currently trying to utilize Wannier90 with
Z2pack to calculate the Z2 invariant for
PbTaSe2. I tried to set the variable
skip_B1_tests to true in my wannier90.win file
(because the Z2 pack website said that Wannier90
would be compatible with Z2pack if
skip_B1_tests=.TRUE.), but I got an error
message that said "unrecognizable input
variable." Is skip_B1_tests implemented in
Wannier90? I am using version 2.1.0. </div>
<div><br>
</div>
<div>Thank you very much!</div>
<div><br>
</div>
<div>Carissa</div>
</div>
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