<html><head></head><body><div style="font-family:times new roman, new york, times, serif;font-size:16px;"><div style="font-family:times new roman, new york, times, serif;font-size:16px;"><div><div><span><span id="ydp7197bcb5result_box" lang="en"><span class="">For a tetragonal system: RbFe2As2 ( <span>a=b=7.407923</span> Bohr, c= <span>29.324817</span><span><span><span id="ydp7197bcb5result_box" lang="en"><span>Bohr</span></span></span></span>), it has a space group 139_I4/mmm. Notice that it has a primitive cell.</span></span><span id="ydp7197bcb5result_box" lang="en"><span class=""> The Kgen (wien2k 18.1, wien2k 17.1, wien2k 14.2) for 1000 k-points produces:</span></span></span><br></div><div>NUMBER OF K-POINTS IN <g class="gr_ gr_624 gr-alert gr_gramm gr_inline_cards gr_run_anim Grammar only-ins replaceWithoutSep" id="624" data-gr-id="624">WHOLE</g> CELL: (0 allows to specify 3 divisions of G)</div><div>length of reciprocal lattice vectors: 0.875 0.875 1.199 9.001 9.001 12.342</div><div><div><g class="gr_ gr_642 gr-alert gr_gramm gr_inline_cards gr_run_anim Grammar only-ins doubleReplace replaceWithoutSep" id="642" data-gr-id="642">Shift</g> of k-mesh allowed. Do you want to shift: (0=no, 1=shift)</div><div class="">99 k-points generated, ndiv= <b>10x10x10.</b></div><div><span><span id="ydp3db191f6result_box" lang="en"><span class="">Is the mesh 10x10x10 reasonable?</span></span></span> (I used a CASTEP code and it gives 3 different divisions).</div><div><span><span id="ydp1831a41eresult_box" class="ydp1831a41eshort_text" lang="en"><span>In attached you will find case.struct.</span></span></span></div><div><span><span id="ydp1831a41eresult_box" class="ydp1831a41eshort_text" lang="en"><span><br></span></span></span></div><div class=""> <span><span id="ydp33e68084result_box" class="ydp33e68084short_text" lang="en"><span class="">Thanks for help.</span></span></span><br></div><div><br></div><span><span id="ydp7197bcb5result_box" lang="en"><span class=""><span><pre class=""><br></pre></span></span></span></span></div><div><span><span id="ydp7197bcb5result_box" lang="en"><span class=""><br></span></span></span></div><div class=""><span><span id="ydp7197bcb5result_box" lang="en"><span class=""></span></span></span></div><br><div><br></div><div class="ydpf2a8f476signature"><div id="ydpf2a8f476yui_3_16_0_1_1453821081256_6989"><i>******************************************************<br><span style="background-color:rgb(112, 172, 237);"><b>Nacir GUECHI</b></span><br></i></div><div id="ydpf2a8f476yui_3_16_0_1_1453821081256_6985"><i>Dr. Physique de la matière solide.</i></div><div id="ydpf2a8f476yui_3_16_0_1_1453821081256_6981"><i>Enseignant-Chercheur à l'université du <a href="http://www.univ-medea.dz/fr/" rel="nofollow" target="_blank">Dr. Yahia FARES de Médéa</a>, Algeria (<cite class="ydpf2a8f476_Rm">www.<b>univ-media</b>.dz</cite>).</i></div><div id="ydpf2a8f476yui_3_16_0_1_1453821081256_6975"><i>Laboratoire d'études des surfaces et interfaces des matériaux solides (L.E.S.I.M.S), université Sétif1 (Algeria)</i></div><div id="ydpf2a8f476yui_3_16_0_1_1453821081256_7000"><i><a id="ydpf2a8f476yui_3_16_0_1_1453821081256_6999" href="http://laboratoires.univ-setif.dz/L.E.S.I.M.S/" rel="nofollow" target="_blank">http://laboratoires.univ-setif.dz/L.E.S.I.M.S/</a></i></div></div></div></div></div></body></html>