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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>Â <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)Â 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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