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<div>Dear all QE users,</div><div>i am new user;</div><div>i would like
to calculate InSb band structure by GW PBE. i tried it with GWL and i
have a result on gamma point only and i would all the band structure.</div><div>So i have a question : GWL treats only gamma point or it could done calculation for various kpoints ? If yes how it does ?</div><div> <br></div><div>in another part,i am trying SternheimerGW application linked with QE.</div><div>currently,
i work with QE6.2.0. And when i launch gw.x after scf calculation
(which runs and converges well) from tutorial for Si, i have the
following error (in attached fil i put the gw.out):</div><div><br> evaluate self energy for k = ( 0.0000 0.0000 0.0000 )<br><br> Error in routine sigma.f90 (2):<br> error opening ./tmp/_gw0/si.coul1<br> stopping ...</div><div>i obtained the same for the second Li example and the another found in examples folder.</div><div><br></div><div>I tried also on QE6.3 with the same Si tutorial abd i have the following error which is different and i don't know why ?</div><div><br> ######## T E R N H E I M E R <a href="http://www.sternheimergw.org/" target="_blank">http://www.sternheimergw.org/</a><br> ### ###<br> ### ## ####### # #<br> ### ## ### # ## #<br> ### ## # # ## #<br> ##### # # # # #<br> /// ##### \\\ # # # # #<br> /// #### \\\ # # # # #<br> /// ### \\\ # ######### # # # #<br>((( ### ))) # # # # # #<br> \\\ ### ### /// # # # # # #<br> \\\ ### ### /// # # # # # #<br> \\\ ### ### /// # ## ### ###<br> ########## ########### # #<br><br><br> Program SternheimerGW v.0.15 starts on 5Apr2019 at 10:52:17<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> "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);<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 at<br> <a href="http://www.quantum-espresso.org/quote" target="_blank">http://www.quantum-espresso.org/quote</a><br><br> Serial version<br><br> Please cite SternheimerGW as:<br> M. Schlipf, H. Lambert, N. Zibouche, and F. Giustino, SternheimerGW,<br> paper in preparation, URL <a href="http://www.sternheimergw.org" target="_blank">http://www.sternheimergw.org</a><br><br> To increase the reproducibility of your results you can mention the<br> git description of this version: unknown<br><br> other relevant papers:<br> H. Lambert and F. Giustino, Phys. Rev. B 88, 075117 (2013)<br> F. Giustino, M. L. Cohen, and S. G. Louie, Phys. Rev. B 81, 115105 (201<br>0)<br><br> Reading data from directory:<br> ./tmp/si.save/<br><br> IMPORTANT: XC functional enforced from input :<br> Exchange-correlation = PZ ( 1 1 0 0 0 0)<br> Any further DFT definition will be discarded<br> Please, verify this is what you really want<br><br><br> G-vector sticks info<br> --------------------<br> sticks: dense smooth PW G-vecs: dense smooth PW<br> Sum 235 235 85 2277 2277 531<br><br><br><br> Coulomb Perturbations for ( 4, 4, 4,) uniform grid of q-points<br> ( 8q-points):<br> N xq(1) xq(2) xq(3)<br> 1 0.000000000 0.000000000 0.000000000<br> 2 -0.250000000 0.250000000 -0.250000000<br> 3 0.500000000 -0.500000000 0.500000000<br> 4 0.000000000 0.500000000 0.000000000<br> 5 0.750000000 -0.250000000 0.750000000<br> 6 0.500000000 0.000000000 0.500000000<br> 7 0.000000000 -1.000000000 0.000000000<br> 8 -0.500000000 -1.000000000 0.000000000<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> Error in routine ggens (2):<br> mismatch in number of G-vectors<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br></div><div><br></div><div> someone can explain at what these errors are due to ?</div><div><br></div><div>thanks in advance for your answer,</div><div>Anne-Sophie<br></div>
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