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Dear Alex,
<div class="">Please have a look at this earlier post and see whether it helps. </div>
<div class=""><a href="http://lists.quantum-espresso.org/pipermail/wannier/2018-February/001484.html" class="">http://lists.quantum-espresso.org/pipermail/wannier/2018-February/001484.html</a> </div>
<div class="">Also, it seems that you are using a lower density of k-points (larger number of k-points) along the direction normal to the surface (y-direction in your case) than along the directions parallel to the surface. I would have expected the opposite. </div>
<div class="">Best wishes,</div>
<div class="">Arash<br class="">
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<div class="">
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— <br class="">
Arash Mostofi — <a href="http://www.mostofigroup.org" class="">www.mostofigroup.org</a><br class="">
Imperial College London</div>
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<blockquote type="cite" class="">
<div class="">On 16 Sep 2018, at 14:55, Alex.Durie <<a href="mailto:alex.durie@open.ac.uk" class="">alex.durie@open.ac.uk</a>> wrote:</div>
<br class="Apple-interchange-newline">
<div class="">
<div id="divtagdefaultwrapper" dir="ltr" style="font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; font-size: 12pt; font-family: Calibri, Helvetica, sans-serif;" class="">
<div style="margin-top: 0px; margin-bottom: 0px;" class="">Dear experts,</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><br class="">
</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">I am attempting to make a slab of FCC ferromagnetic cobalt enclosed by a vacuum. In order to reduce the number of atoms in the supercell, it is grown in the 011 direction in-plane so that there is one
atom in-plane, and five atoms out-of-plane. I am using a 3x9x3 Monkhorst-Pack mesh as I require an in-plane bandstructure. (Here I have chosen the y-axis to be out-of-plane, as Quantum ESPRESSO defaults the magnetization to be along the z-axis).</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><br class="">
</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">Ultimately I wish to model a dielectric and make use of the real space Hamiltonian't that Wannier90 produces, but as a check I wish to make sure I am generating the slab correctly in the first instance.</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><br class="">
</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">I have used kmesh.pl to generate the list of k-points. Whilst I know this generates the correct set of k-points to be used for QE's nscf run, as indicated in it's output, I am unsure as to whether this
creates the correct set of points for use with Wannier90.</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">My concerns are;</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><br class="">
</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">When wannier90 terminates, it outputs 'wrong irdist_ws'</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><br class="">
</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">in seedname.wout, I get the following output;</div>
<p style="margin-top: 0px; margin-bottom: 0px;" class=""></p>
<div class=""> +----------------------------------------------------------------------------+</div>
<div class=""> | b_k Vectors (Ang^-1) and Weights (Ang^2) |</div>
<div class=""> | ---------------------------------------- |</div>
<div class=""> | No. b_k(x) b_k(y) b_k(z) w_b |</div>
<div class=""> | --- -------------------------------- -------- |</div>
<div class=""> | 1 0.000000 0.028788 0.000000 603.306159 |</div>
<div class=""> | 2 0.000000 -0.028788 0.000000 603.306159 |</div>
<div class=""> | 3 0.000000 0.000000 0.820467 0.742759 |</div>
<div class=""> | 4 0.820467 0.000000 0.000000 0.742759 |</div>
<div class=""> | 5 0.000000 0.000000 -0.820467 0.742759 |</div>
<div class=""> | 6 -0.820467 0.000000 0.000000 0.742759 |</div>
<div class=""> +----------------------------------------------------------------------------+</div>
<div class=""><br class="">
</div>
Whilst I don't fully understand what this means, the weight of the first two b_k vectors concerns me.
<p style="margin-top: 0px; margin-bottom: 0px;" class=""></p>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">Finally, my spread doesn't seem very good. At 8000 iterations, my final spread is 454, with the 20th WF representing a spread of 113.</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><br class="">
</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">My input files follow;</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><br class="">
</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">Many thanks,</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><br class="">
</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">Alex Durie</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">PhD Student</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">Open University</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">United Kingdom</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><br class="">
</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">cobalt_up.win</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, 'Apple Color Emoji', 'Segoe UI Emoji', NotoColorEmoji, 'Segoe UI Symbol', 'Android Emoji', EmojiSymbols; font-size: 16px;" class="">-------------------------------------------------------------------------------------------</span><br class="">
</div>
<p style="margin-top: 0px; margin-bottom: 0px;" class=""><span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, 'Apple Color Emoji', 'Segoe UI Emoji', NotoColorEmoji, 'Segoe UI Symbol', 'Android Emoji', EmojiSymbols; font-size: 16px;" class=""></span></p>
<div class="">num_bands = 45</div>
<div class="">num_wann = 45 </div>
<div class="">num_iter = 8000 </div>
<div class=""><br class="">
</div>
<div class="">dis_win_max = 30.0</div>
<div class="">dis_froz_max = 12.5</div>
<div class="">dis_num_iter = 45000</div>
<div class="">dis_mix_ratio = 0.5</div>
<div class="">write_hr = true</div>
<div class="">translate_home_cell = true</div>
<div class="">guiding_centres = true</div>
<div class="">search_shells = 60</div>
<div class=""><br class="">
</div>
<div class="">Begin Kpoint_Path</div>
<div class="">G 0.00 0.00 0.00 X 0.50 0.00 0.50</div>
<div class=""></div>
<div class="">X 0.50 0.00 0.500 L 0.00 0.00 0.50</div>
<div class="">L 0.00 0.00 0.50 G 0.00 0.00 0.00</div>
<div class="">End Kpoint_Path<br class="">
</div>
<div class=""> </div>
<div class=""># restart = plot</div>
<div class="">bands_plot = .true.</div>
<div class=""><br class="">
</div>
<div class="">begin unit_cell_cart</div>
<div class="">bohr</div>
<div class="">4.82388 0.000000 0.00000 </div>
<div class="">0.00000 45.82686 0.00000</div>
<div class="">0.00000 0.000000 4.82388</div>
<div class="">end unit_cell_cart</div>
<div class=""><br class="">
</div>
<div class="">begin atoms_frac</div>
<div class="">Co 0.0000000 -0.148865 0.0000000</div>
<div class="">Co 0.5000000 -0.074432 0.5000000</div>
<div class="">Co 0.0000000 0.000000 0.0000000</div>
<div class="">Co 0.5000000 0.074432 0.5000000</div>
<div class="">Co 0.0000000 0.148865 0.0000000</div>
<div class="">end atoms_frac</div>
<div class=""> </div>
<div class="">begin projections</div>
<div class="">Co:s;p;d</div>
<div class="">end projections</div>
<div class=""><br class="">
</div>
<div class="">mp_grid : 3 9 3</div>
<div class=""><br class="">
</div>
<div class="">begin kpoints</div>
<div class=""> 0.00000000 0.00000000 0.00000000 </div>
<div class=""> 0.00000000 0.00000000 0.33333333 </div>
<div class=""> 0.00000000 0.00000000 0.66666667 </div>
<div class=""> 0.00000000 0.11111111 0.00000000 </div>
<div class=""> 0.00000000 0.11111111 0.33333333 </div>
<div class=""> 0.00000000 0.11111111 0.66666667 </div>
<div class=""> 0.00000000 0.22222222 0.00000000 </div>
<div class=""> 0.00000000 0.22222222 0.33333333 </div>
<div class=""> 0.00000000 0.22222222 0.66666667 </div>
<div class=""> 0.00000000 0.33333333 0.00000000 </div>
<div class=""> 0.00000000 0.33333333 0.33333333 </div>
<div class=""> 0.00000000 0.33333333 0.66666667 </div>
<div class=""> 0.00000000 0.44444444 0.00000000 </div>
<div class=""> 0.00000000 0.44444444 0.33333333 </div>
<div class=""> 0.00000000 0.44444444 0.66666667 </div>
<div class=""> 0.00000000 0.55555556 0.00000000 </div>
<div class=""> 0.00000000 0.55555556 0.33333333 </div>
<div class=""> 0.00000000 0.55555556 0.66666667 </div>
<div class=""> 0.00000000 0.66666667 0.00000000 </div>
<div class=""> 0.00000000 0.66666667 0.33333333 </div>
<div class=""> 0.00000000 0.66666667 0.66666667 </div>
<div class=""> 0.00000000 0.77777778 0.00000000 </div>
<div class=""> 0.00000000 0.77777778 0.33333333 </div>
<div class=""> 0.00000000 0.77777778 0.66666667 </div>
<div class=""> 0.00000000 0.88888889 0.00000000 </div>
<div class=""> 0.00000000 0.88888889 0.33333333 </div>
<div class=""> 0.00000000 0.88888889 0.66666667 </div>
<div class=""> 0.33333333 0.00000000 0.00000000 </div>
<div class=""> 0.33333333 0.00000000 0.33333333 </div>
<div class=""> 0.33333333 0.00000000 0.66666667 </div>
<div class=""> 0.33333333 0.11111111 0.00000000 </div>
<div class=""> 0.33333333 0.11111111 0.33333333 </div>
<div class=""> 0.33333333 0.11111111 0.66666667 </div>
<div class=""> 0.33333333 0.22222222 0.00000000 </div>
<div class=""> 0.33333333 0.22222222 0.33333333 </div>
<div class=""> 0.33333333 0.22222222 0.66666667 </div>
<div class=""> 0.33333333 0.33333333 0.00000000 </div>
<div class=""> 0.33333333 0.33333333 0.33333333 </div>
<div class=""> 0.33333333 0.33333333 0.66666667 </div>
<div class=""> 0.33333333 0.44444444 0.00000000 </div>
<div class=""> 0.33333333 0.44444444 0.33333333 </div>
<div class=""> 0.33333333 0.44444444 0.66666667 </div>
<div class=""> 0.33333333 0.55555556 0.00000000 </div>
<div class=""> 0.33333333 0.55555556 0.33333333 </div>
<div class=""> 0.33333333 0.55555556 0.66666667 </div>
<div class=""> 0.33333333 0.66666667 0.00000000 </div>
<div class=""> 0.33333333 0.66666667 0.33333333 </div>
<div class=""> 0.33333333 0.66666667 0.66666667 </div>
<div class=""> 0.33333333 0.77777778 0.00000000 </div>
<div class=""> 0.33333333 0.77777778 0.33333333 </div>
<div class=""> 0.33333333 0.77777778 0.66666667 </div>
<div class=""> 0.33333333 0.88888889 0.00000000 </div>
<div class=""> 0.33333333 0.88888889 0.33333333 </div>
<div class=""> 0.33333333 0.88888889 0.66666667 </div>
<div class=""> 0.66666667 0.00000000 0.00000000 </div>
<div class=""> 0.66666667 0.00000000 0.33333333 </div>
<div class=""> 0.66666667 0.00000000 0.66666667 </div>
<div class=""> 0.66666667 0.11111111 0.00000000 </div>
<div class=""> 0.66666667 0.11111111 0.33333333 </div>
<div class=""> 0.66666667 0.11111111 0.66666667 </div>
<div class=""> 0.66666667 0.22222222 0.00000000 </div>
<div class=""> 0.66666667 0.22222222 0.33333333 </div>
<div class=""> 0.66666667 0.22222222 0.66666667 </div>
<div class=""> 0.66666667 0.33333333 0.00000000 </div>
<div class=""> 0.66666667 0.33333333 0.33333333 </div>
<div class=""> 0.66666667 0.33333333 0.66666667 </div>
<div class=""> 0.66666667 0.44444444 0.00000000 </div>
<div class=""> 0.66666667 0.44444444 0.33333333 </div>
<div class=""> 0.66666667 0.44444444 0.66666667 </div>
<div class=""> 0.66666667 0.55555556 0.00000000 </div>
<div class=""> 0.66666667 0.55555556 0.33333333 </div>
<div class=""> 0.66666667 0.55555556 0.66666667 </div>
<div class=""> 0.66666667 0.66666667 0.00000000 </div>
<div class=""> 0.66666667 0.66666667 0.33333333 </div>
<div class=""> 0.66666667 0.66666667 0.66666667 </div>
<div class=""> 0.66666667 0.77777778 0.00000000 </div>
<div class=""> 0.66666667 0.77777778 0.33333333 </div>
<div class=""> 0.66666667 0.77777778 0.66666667 </div>
<div class=""> 0.66666667 0.88888889 0.00000000 </div>
<div class=""> 0.66666667 0.88888889 0.33333333 </div>
<div class=""> 0.66666667 0.88888889 0.66666667 </div>
<div class="">end kpoints</div>
<div class="">-------------------------------------------------------------------------------------------<br class="">
</div>
<p style="margin-top: 0px; margin-bottom: 0px;" class=""></p>
<div style="margin-top: 0px; margin-bottom: 0px;" class=""><span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, 'Apple Color Emoji', 'Segoe UI Emoji', NotoColorEmoji, 'Segoe UI Symbol', 'Android Emoji', EmojiSymbols; font-size: 16px;" class=""><span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, 'Apple Color Emoji', 'Segoe UI Emoji', NotoColorEmoji, 'Segoe UI Symbol', 'Android Emoji', EmojiSymbols; font-size: 16px;" class=""><br class="">
</span></span></div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">cobalt.scf</div>
<div style="margin-top: 0px; margin-bottom: 0px;" class="">-------------------------------------------------------------------------------------------</div>
<p style="margin-top: 0px; margin-bottom: 0px;" class=""></p>
<div class="">#note finite in y rather than usual z. This is since magnetization</div>
<div class="">#is in z direction. Otherwise would be simpler to use fractional</div>
<div class="">#co-ordinates and ibrav = 6</div>
<div class="">&control</div>
<div class=""> calculation='scf'</div>
<div class=""> restart_mode='from_scratch',</div>
<div class=""> pseudo_dir = '../../../../pslibrary.1.0.0/pz/PSEUDOPOTENTIALS/',</div>
<div class=""> outdir='./'</div>
<div class=""> prefix='co'</div>
<div class=""> /</div>
<div class=""> &system</div>
<div class=""> ibrav = 8, </div>
<div class=""> celldm(1) =4.82388, </div>
<div class=""> celldm(2) =9.5, </div>
<div class=""> celldm(3) =1.,</div>
<div class=""> nat= 5, </div>
<div class=""> ntyp= 1,</div>
<div class=""> ecutwfc = 30.0</div>
<div class=""> nspin = 2</div>
<div class=""> occupations='smearing', smearing='cold', degauss=0.02</div>
<div class=""> starting_magnetization = -1</div>
<div class=""> nbnd = 45 </div>
<div class=""> /</div>
<div class=""> &electrons</div>
<div class=""> electron_maxstep = 500</div>
<div class=""> diagonalization='cg'</div>
<div class=""> conv_thr = 1.0e-6</div>
<div class=""> mixing_beta = 0.3</div>
<div class=""> /</div>
<div class="">ATOMIC_SPECIES</div>
<div class=""> Co 58.933195 Co.pz-n-kjpaw_psl.1.0.0.UPF </div>
<div class="">ATOMIC_POSITIONS {bohr}</div>
<div class="">Co 0.0000000 -6.8220000 0.000000</div>
<div class="">Co 2.4119400 -3.4110000 2.411940</div>
<div class="">Co 0.0000000 0.0000000 0.000000</div>
<div class="">Co 2.4119400 3.4110000 2.411940</div>
<div class="">Co 0.0000000 6.8220000 0.000000 </div>
<div class="">K_POINTS {automatic}</div>
<div class="">6 18 6 0 0 0</div>
<div class=""><span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, 'Apple Color Emoji', 'Segoe UI Emoji', NotoColorEmoji, 'Segoe UI Symbol', 'Android Emoji', EmojiSymbols; font-size: 16px;" class="">-------------------------------------------------------------------------------------------</span><br class="">
</div>
<div class=""><span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, 'Apple Color Emoji', 'Segoe UI Emoji', NotoColorEmoji, 'Segoe UI Symbol', 'Android Emoji', EmojiSymbols; font-size: 16px;" class=""><br class="">
</span></div>
<div class=""><span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, 'Apple Color Emoji', 'Segoe UI Emoji', NotoColorEmoji, 'Segoe UI Symbol', 'Android Emoji', EmojiSymbols; font-size: 16px;" class="">cobalt.nscf</span></div>
<div class=""><span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, 'Apple Color Emoji', 'Segoe UI Emoji', NotoColorEmoji, 'Segoe UI Symbol', 'Android Emoji', EmojiSymbols; font-size: 16px;" class=""><span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, 'Apple Color Emoji', 'Segoe UI Emoji', NotoColorEmoji, 'Segoe UI Symbol', 'Android Emoji', EmojiSymbols; font-size: 16px;" class="">-------------------------------------------------------------------------------------------</span><br class="">
</span></div>
<div class=""><span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, 'Apple Color Emoji', 'Segoe UI Emoji', NotoColorEmoji, 'Segoe UI Symbol', 'Android Emoji', EmojiSymbols; font-size: 16px;" class=""><span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, 'Apple Color Emoji', 'Segoe UI Emoji', NotoColorEmoji, 'Segoe UI Symbol', 'Android Emoji', EmojiSymbols; font-size: 16px;" class="">
<div class="">&control</div>
<div class=""> calculation='nscf'</div>
<div class=""> restart_mode='from_scratch',</div>
<div class=""> pseudo_dir = '../../../../pslibrary.1.0.0/pz/PSEUDOPOTENTIALS/',</div>
<div class=""> outdir='./'</div>
<div class=""> prefix='co'</div>
<div class=""> /</div>
<div class=""> &system</div>
<div class=""> ibrav = 8, </div>
<div class=""> celldm(1) =4.82388, </div>
<div class=""> celldm(2) =9.5, </div>
<div class=""> celldm(3) =1.,</div>
<div class=""> nat= 5, </div>
<div class=""> ntyp= 1,</div>
<div class=""> ecutwfc = 30.0</div>
<div class=""> nspin = 2</div>
<div class=""> occupations='smearing', smearing='cold', degauss=0.02</div>
<div class=""> starting_magnetization = -1</div>
<div class=""> nosym = .true.</div>
<div class=""> nbnd = 45 </div>
<div class=""> /</div>
<div class=""> &electrons</div>
<div class=""> electron_maxstep = 500</div>
<div class=""> diagonalization='cg'</div>
<div class=""> conv_thr = 1.0e-6</div>
<div class=""> /</div>
<div class="">ATOMIC_SPECIES</div>
<div class=""> Co 58.933195 Co.pz-n-kjpaw_psl.1.0.0.UPF </div>
<div class="">ATOMIC_POSITIONS {bohr}</div>
<div class="">Co 0.0000000 -6.8220000 0.000000</div>
<div class="">Co 2.4119400 -3.4110000 2.411940</div>
<div class="">Co 0.0000000 0.0000000 0.000000</div>
<div class="">Co 2.4119400 3.4110000 2.411940</div>
<div class="">Co 0.0000000 6.8220000 0.000000 </div>
<div class="">K_POINTS crystal</div>
<div class="">81</div>
<div class=""> 0.00000000 0.00000000 0.00000000 1.234568e-02 </div>
<div class=""> 0.00000000 0.00000000 0.33333333 1.234568e-02 </div>
<div class=""> 0.00000000 0.00000000 0.66666667 1.234568e-02 </div>
<div class=""> 0.00000000 0.11111111 0.00000000 1.234568e-02 </div>
<div class=""> 0.00000000 0.11111111 0.33333333 1.234568e-02 </div>
<div class=""> 0.00000000 0.11111111 0.66666667 1.234568e-02 </div>
<div class=""> 0.00000000 0.22222222 0.00000000 1.234568e-02 </div>
<div class=""> 0.00000000 0.22222222 0.33333333 1.234568e-02 </div>
<div class=""> 0.00000000 0.22222222 0.66666667 1.234568e-02 </div>
<div class=""> 0.00000000 0.33333333 0.00000000 1.234568e-02 </div>
<div class=""> 0.00000000 0.33333333 0.33333333 1.234568e-02 </div>
<div class=""> 0.00000000 0.33333333 0.66666667 1.234568e-02 </div>
<div class=""> 0.00000000 0.44444444 0.00000000 1.234568e-02 </div>
<div class=""> 0.00000000 0.44444444 0.33333333 1.234568e-02 </div>
<div class=""> 0.00000000 0.44444444 0.66666667 1.234568e-02 </div>
<div class=""> 0.00000000 0.55555556 0.00000000 1.234568e-02 </div>
<div class=""> 0.00000000 0.55555556 0.33333333 1.234568e-02 </div>
<div class=""> 0.00000000 0.55555556 0.66666667 1.234568e-02 </div>
<div class=""> 0.00000000 0.66666667 0.00000000 1.234568e-02 </div>
<div class=""> 0.00000000 0.66666667 0.33333333 1.234568e-02 </div>
<div class=""> 0.00000000 0.66666667 0.66666667 1.234568e-02 </div>
<div class=""> 0.00000000 0.77777778 0.00000000 1.234568e-02 </div>
<div class=""> 0.00000000 0.77777778 0.33333333 1.234568e-02 </div>
<div class=""> 0.00000000 0.77777778 0.66666667 1.234568e-02 </div>
<div class=""> 0.00000000 0.88888889 0.00000000 1.234568e-02 </div>
<div class=""> 0.00000000 0.88888889 0.33333333 1.234568e-02 </div>
<div class=""> 0.00000000 0.88888889 0.66666667 1.234568e-02 </div>
<div class=""> 0.33333333 0.00000000 0.00000000 1.234568e-02 </div>
<div class=""> 0.33333333 0.00000000 0.33333333 1.234568e-02 </div>
<div class=""> 0.33333333 0.00000000 0.66666667 1.234568e-02 </div>
<div class=""> 0.33333333 0.11111111 0.00000000 1.234568e-02 </div>
<div class=""> 0.33333333 0.11111111 0.33333333 1.234568e-02 </div>
<div class=""> 0.33333333 0.11111111 0.66666667 1.234568e-02 </div>
<div class=""> 0.33333333 0.22222222 0.00000000 1.234568e-02 </div>
<div class=""> 0.33333333 0.22222222 0.33333333 1.234568e-02 </div>
<div class=""> 0.33333333 0.22222222 0.66666667 1.234568e-02 </div>
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<div class=""> 0.33333333 0.33333333 0.66666667 1.234568e-02 </div>
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<div class=""> 0.33333333 0.44444444 0.33333333 1.234568e-02 </div>
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<div class=""> 0.33333333 0.55555556 0.66666667 1.234568e-02 </div>
<div class=""> 0.33333333 0.66666667 0.00000000 1.234568e-02 </div>
<div class=""> 0.33333333 0.66666667 0.33333333 1.234568e-02 </div>
<div class=""> 0.33333333 0.66666667 0.66666667 1.234568e-02 </div>
<div class=""> 0.33333333 0.77777778 0.00000000 1.234568e-02 </div>
<div class=""> 0.33333333 0.77777778 0.33333333 1.234568e-02 </div>
<div class=""> 0.33333333 0.77777778 0.66666667 1.234568e-02 </div>
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<div class=""> 0.33333333 0.88888889 0.66666667 1.234568e-02 </div>
<div class=""> 0.66666667 0.00000000 0.00000000 1.234568e-02 </div>
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<div class=""> 0.66666667 0.00000000 0.66666667 1.234568e-02 </div>
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<div class=""> 0.66666667 0.22222222 0.66666667 1.234568e-02 </div>
<div class=""> 0.66666667 0.33333333 0.00000000 1.234568e-02 </div>
<div class=""> 0.66666667 0.33333333 0.33333333 1.234568e-02 </div>
<div class=""> 0.66666667 0.33333333 0.66666667 1.234568e-02 </div>
<div class=""> 0.66666667 0.44444444 0.00000000 1.234568e-02 </div>
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<div class=""> 0.66666667 0.66666667 0.33333333 1.234568e-02 </div>
<div class=""> 0.66666667 0.66666667 0.66666667 1.234568e-02 </div>
<div class=""> 0.66666667 0.77777778 0.00000000 1.234568e-02 </div>
<div class=""> 0.66666667 0.77777778 0.33333333 1.234568e-02 </div>
<div class=""> 0.66666667 0.77777778 0.66666667 1.234568e-02 </div>
<div class=""> 0.66666667 0.88888889 0.00000000 1.234568e-02 </div>
<div class=""> 0.66666667 0.88888889 0.33333333 1.234568e-02 </div>
<div class=""> 0.66666667 0.88888889 0.66666667 1.234568e-02 </div>
<div class=""><span style="font-family: Calibri, Helvetica, sans-serif, EmojiFont, 'Apple Color Emoji', 'Segoe UI Emoji', NotoColorEmoji, 'Segoe UI Symbol', 'Android Emoji', EmojiSymbols; font-size: 16px;" class="">-------------------------------------------------------------------------------------------</span></div>
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<span style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; float: none; display: inline !important;" class="">_______________________________________________</span><br style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class="">
<span style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; float: none; display: inline !important;" class="">Wannier
mailing list</span><br style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class="">
<a href="mailto:Wannier@lists.quantum-espresso.org" style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px;" class="">Wannier@lists.quantum-espresso.org</a><br style="font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class="">
<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: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px;" class="">https://lists.quantum-espresso.org/mailman/listinfo/wannier</a></div>
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