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Dear Haylen,
<div>Indeed, the corresponding supercell in the x direction is very big (or if you want, you have many k-points in 1 direction).</div>
<div>You need therefore to increase the number of shells even more. By a bit of trial and error, you need at least 1002 shells. Also, you need *not* to change the kmesh_tol.</div>
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<div>In my code version, using </div>
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<div><i>search_shells=1002</i></div>
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<div>and commenting out (or removing) the line</div>
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<div><i>!kmesh_tol=0.000005</i></div>
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<div>works.</div>
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<div>Best,</div>
<div>Giovanni</div>
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<div><br>
<blockquote type="cite">
<div>On 11 Jun 2025, at 18:44, Gerhard, Haylen <haylen.gerhard@emory.edu> wrote:</div>
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Hello,</div>
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I'm trying to use Wannier90 to compute MLWF for 2D systems. Specifically, I'm trying to acquire the U_{nm}^{k} matrix that will transform my bloch states to the optimal gauge.</div>
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I am supplying<span class="Apple-converted-space"> </span><a href="http://seedname.win/">seedname.win</a>, seedname.amn, and seedname.mmn files that I generate using tight-binding models in python. The .mmn files are generated from a (currently random) gauge
of Bloch states and I'm constructing A_{nm}^{k} as (1/sqrt(Nkpoints))*delta_{nm} (i.e., my trial orbital is the Wannier function produced by my Bloch gauge).</div>
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After issues in 2D, I am trying to use Wannier90 for a 1D system (lower band of SSH chain).</div>
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For the .win file (see below), I'm using a modified version of the .win file supplied in the GaAs tutorial by Wannier90. I get the error message "kmesh_get_automatic" and the .wout file has the error</div>
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"Unable to satisfy B1 with any of the first 144 shells</div>
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Your cell might be very long, or you may have an irregular MP grid</div>
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Try increasing the parameter search_shells in the win file (default=12)</div>
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Exiting.......</div>
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kmesh_get_automatic"</div>
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Following the user guide, I am generating my kmesh using the kmesh.pl file in the utility folder of Wannier90, then I am loading those k points into python for my calculations. I have set search_shells=144.</div>
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I have seen elsewhere on the archives here that similar problems have been solved by modifying the kmesh_tol for the definition of shells. If I decrease the kmesh_tol, I get the error message "kmesh_get_bvector: Not enough bvectors found."</div>
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I have also seen the suggestion that, when doing 2 or 1 dimensional systems, to increase the length of the unnecessary lattice vectors. </div>
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Below are both my .win and .wout files. Any help, either with my files or a better pathway for what I'm trying to do, would be greatly appreciated.</div>
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My .win input : </div>
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num_wann = 1</div>
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num_bands = 1</div>
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num_iter = 20</div>
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! SYSTEM</div>
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begin unit_cell_cart</div>
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Ang</div>
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1.000 0.000 0.000</div>
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0.000 1.000 0.000</div>
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0.000 0.000 1.000</div>
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end unit_cell_cart</div>
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write_u_matrices = .true.</div>
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search_shells=144</div>
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kmesh_tol=0.000005</div>
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! KPOINTS</div>
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mp_grid : 1000 1 1</div>
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begin kpoints</div>
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0.00000 0.00000 0.00000</div>
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0.00100 0.00000 0.00000</div>
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0.00200 0.00000 0.00000</div>
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0.00300 0.00000 0.00000 </div>
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...</div>
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end kpoints </div>
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<br>
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<br>
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My .wout output : </div>
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<br>
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+---------------------------------------------------+</div>
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| |</div>
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| WANNIER90 |</div>
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| |</div>
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+---------------------------------------------------+</div>
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| |</div>
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| Welcome to the Maximally-Localized |</div>
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| Generalized Wannier Functions code |</div>
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| <a href="http://www.wannier.org/">http://www.wannier.org</a><span class="Apple-converted-space"> </span> |</div>
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| |</div>
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| |</div>
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| Wannier90 Developer Group: |</div>
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| Giovanni Pizzi (EPFL) |</div>
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| Valerio Vitale (Cambridge) |</div>
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| David Vanderbilt (Rutgers University) |</div>
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| Nicola Marzari (EPFL) |</div>
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| Ivo Souza (Universidad del Pais Vasco) |</div>
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| Arash A. Mostofi (Imperial College London) |</div>
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| Jonathan R. Yates (University of Oxford) |</div>
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| |</div>
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| For the full list of Wannier90 3.x authors, |</div>
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| please check the code documentation and the |</div>
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| README on the GitHub page of the code |</div>
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| |</div>
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| |</div>
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| Please cite |</div>
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| |</div>
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| [ref] "Wannier90 as a community code: |</div>
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| new features and applications", |</div>
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| G. Pizzi et al., J. Phys. Cond. Matt. 32, |</div>
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| 165902 (2020). |</div>
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| <a href="http://doi.org/10.1088/1361-648X/ab51ff">http://doi.org/10.1088/1361-648X/ab51ff</a><span class="Apple-converted-space"> </span> |</div>
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| |</div>
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| in any publications arising from the use of |</div>
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| this code. For the method please cite |</div>
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| |</div>
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| [ref] "Maximally Localized Generalised Wannier |</div>
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| Functions for Composite Energy Bands" |</div>
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| N. Marzari and D. Vanderbilt |</div>
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| Phys. Rev. B 56 12847 (1997) |</div>
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| |</div>
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| [ref] "Maximally Localized Wannier Functions |</div>
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| for Entangled Energy Bands" |</div>
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| I. Souza, N. Marzari and D. Vanderbilt |</div>
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| Phys. Rev. B 65 035109 (2001) |</div>
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| |</div>
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| |</div>
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| Copyright (c) 1996-2020 |</div>
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| The Wannier90 Developer Group and |</div>
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| individual contributors |</div>
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| |</div>
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| Release: 3.1.0 5th March 2020 |</div>
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| |</div>
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| This program is free software; you can |</div>
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| redistribute it and/or modify it under the terms |</div>
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| of the GNU General Public License as published by |</div>
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| the Free Software Foundation; either version 2 of |</div>
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| the License, or (at your option) any later version|</div>
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| |</div>
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| This program is distributed in the hope that it |</div>
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| will be useful, but WITHOUT ANY WARRANTY; without |</div>
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| even the implied warranty of MERCHANTABILITY or |</div>
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| FITNESS FOR A PARTICULAR PURPOSE. See the GNU |</div>
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| General Public License for more details. |</div>
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| |</div>
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| You should have received a copy of the GNU General|</div>
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| Public License along with this program; if not, |</div>
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| write to the Free Software Foundation, Inc., |</div>
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| 675 Mass Ave, Cambridge, MA 02139, USA. |</div>
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| |</div>
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+---------------------------------------------------+</div>
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| Execution started on 11Jun2025 at 12:41:55 |</div>
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+---------------------------------------------------+</div>
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</div>
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******************************************************************************</div>
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* -> Using CODATA 2006 constant values *</div>
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* (<a href="http://physics.nist.gov/cuu/Constants/index.html">http://physics.nist.gov/cuu/Constants/index.html</a>) *</div>
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* -> Using Bohr value from CODATA *</div>
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******************************************************************************</div>
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</div>
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<br>
</div>
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Running in serial (with serial executable)</div>
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<br>
</div>
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------</div>
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SYSTEM</div>
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------</div>
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<br>
</div>
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Lattice Vectors (Ang)</div>
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a_1 1.000000 0.000000 0.000000</div>
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a_2 0.000000 1.000000 0.000000</div>
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a_3 0.000000 0.000000 1.000000</div>
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<br>
</div>
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Unit Cell Volume: 1.00000 (Ang^3)</div>
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<br>
</div>
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Reciprocal-Space Vectors (Ang^-1)</div>
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b_1 6.283185 0.000000 0.000000</div>
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b_2 0.000000 6.283185 0.000000</div>
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b_3 0.000000 0.000000 6.283185</div>
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</div>
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No atom positions specified</div>
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------------</div>
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K-POINT GRID</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
------------</div>
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</div>
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Grid size =*** x 1 x 1 Total points = 1000</div>
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</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
*---------------------------------- MAIN ------------------------------------*</div>
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| Number of Wannier Functions : 1 |</div>
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| Number of Objective Wannier Functions : 1 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Number of input Bloch states : 1 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Output verbosity (1=low, 5=high) : 1 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Timing Level (1=low, 5=high) : 1 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Optimisation (0=memory, 3=speed) : 3 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Length Unit : Ang |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Post-processing setup (write *.nnkp) : F |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Using Gamma-only branch of algorithms : F |</div>
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*----------------------------------------------------------------------------*</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
*------------------------------- WANNIERISE ---------------------------------*</div>
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| Total number of iterations : 20 |</div>
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| Number of CG steps before reset : 5 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Trial step length for line search : 2.000 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Convergence tolerence : 0.100E-09 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Convergence window : -1 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Iterations between writing output : 1 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Iterations between backing up to disk : 100 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Write r^2_nm to file : F |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Write xyz WF centres to file : F |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Write on-site energies <0n|H|0n> to file : F |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Use guiding centre to control phases : F |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Use phases for initial projections : F |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
*----------------------------------------------------------------------------*</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
Time to read parameters 0.032 (sec)</div>
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<br>
</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
*---------------------------------- K-MESH ----------------------------------*</div>
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+----------------------------------------------------------------------------+</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Distance to Nearest-Neighbour Shells |</div>
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| ------------------------------------ |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| Shell Distance (Ang^-1) Multiplicity |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| ----- ----------------- ------------ |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| 1 0.006283 2 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| 2 0.012566 2 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| 3 0.018850 2 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| 4 0.025133 2 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| 5 0.031416 2 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| 6 0.037699 2 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| 7 0.043982 2 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| 8 0.050265 2 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| 9 0.056549 2 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| 10 0.062832 2 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| 11 0.069115 2 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| 12 0.075398 2 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| 13 0.081681 2 |</div>
<div class="elementToProof" style="font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt;">
| 14 0.087965 2 |</div>
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| 15 0.094248 2 |</div>
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| The b-vectors are chosen automatically |</div>
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Unable to satisfy B1 with any of the first 144 shells</div>
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Your cell might be very long, or you may have an irregular MP grid</div>
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Try increasing the parameter search_shells in the win file (default=12)</div>
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Exiting.......</div>
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kmesh_get_automatic</div>
<span style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; float: none; display: inline !important;">_______________________________________________</span><br style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;">
<span style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; float: none; display: inline !important;">Wannier
mailing list</span><br style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;">
<a href="mailto:Wannier@lists.quantum-espresso.org" style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;">Wannier@lists.quantum-espresso.org</a><br style="caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;">
<a href="https://lists.quantum-espresso.org/mailman/listinfo/wannier" style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: 400; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;">https://lists.quantum-espresso.org/mailman/listinfo/wannier</a></div>
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