<div dir="ltr">Has anyone found any problem in example 17 before? Thank you.</div><div class="gmail_extra"><br><br><div class="gmail_quote">On Fri, Aug 22, 2014 at 3:00 AM, <span dir="ltr"><<a href="mailto:wannier-request@quantum-espresso.org" target="_blank">wannier-request@quantum-espresso.org</a>></span> wrote:<br>
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Today's Topics:<br>
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1. problem in tutorial example 17 (Zikui Liu)<br>
<br>
<br>
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<br>
Message: 1<br>
Date: Thu, 21 Aug 2014 18:14:06 -0700<br>
From: Zikui Liu <<a href="mailto:zikuiliu@gmail.com">zikuiliu@gmail.com</a>><br>
To: <a href="mailto:wannier@quantum-espresso.org">wannier@quantum-espresso.org</a><br>
Subject: [Wannier] problem in tutorial example 17<br>
Message-ID:<br>
<<a href="mailto:CAD6LwKHb4ZF_oZQQFXA%2BYy_RjOnmfp0fR1xcPfwFwhmoBEMpqQ@mail.gmail.com">CAD6LwKHb4ZF_oZQQFXA+Yy_RjOnmfp0fR1xcPfwFwhmoBEMpqQ@mail.gmail.com</a>><br>
Content-Type: text/plain; charset="utf-8"<br>
<br>
Dear all,<br>
<br>
I followed the tutorial of example 17 (Iron- Spin-orbit-coupled ...)<br>
stepwise, and met some problem at step 4 of using the pw2wannier90<br>
executable, i.e. no amn/mmn/spn files were created after running the<br>
executable.Instead, I only found the following information:<br>
<br>
Program PW2WANNIER v.5.0.2 (svn rev. 9656) starts on 21Aug2014 at<br>
20:12:12<br>
<br>
This program is part of the open-source Quantum ESPRESSO suite<br>
for quantum simulation of materials; please cite<br>
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<br>
URL <a href="http://www.quantum-espresso.org" target="_blank">http://www.quantum-espresso.org</a>",<br>
in publications or presentations arising from this work. More details<br>
at<br>
<a href="http://www.quantum-espresso.org/quote.php" target="_blank">http://www.quantum-espresso.org/quote.php</a><br>
<br>
Parallel version (MPI), running on 1 processors<br>
<br>
Reading nscf_save data<br>
<br>
Info: using nr1, nr2, nr3 values from input<br>
<br>
Info: using nr1s, nr2s, nr3s values from input<br>
<br>
IMPORTANT: XC functional enforced from input :<br>
Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0)<br>
EXX-fraction = 0.00<br>
Any further DFT definition will be discarded<br>
Please, verify this is what you really want<br>
<br>
WARNING: atomic wfc # 5 for atom type 1 has zero norm<br>
<br>
G-vector sticks info<br>
--------------------<br>
sticks: dense smooth PW G-vecs: dense smooth PW<br>
Sum 797 797 303 14171 14171 3319<br>
<br>
<br>
Spin CASE ( non-collinear )<br>
<br>
Wannier mode is: standalone<br>
<br>
-----------------<br>
*** Reading nnkp<br>
-----------------<br>
<br>
Checking info from wannier.nnkp file<br>
<br>
- Real lattice is ok<br>
- Reciprocal lattice is ok<br>
- K-points are ok<br>
projections data-block missing<br>
<br>
Thank you in advance for your help.<br>
<br>
ZK<br>
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</blockquote></div><br></div>