[QE-users] (no subject)

[as gj]

 Dear all QE users,
i am new user;
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.
So i have a question : GWL treats only gamma point or it could done
calculation for various kpoints ? If yes how it does ?

in another part,i am trying SternheimerGW application linked with QE.
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):

     evaluate self energy for k = (  0.0000  0.0000  0.0000 )

     Error in routine sigma.f90 (2):
     error opening ./tmp/_gw0/si.coul1
     stopping ...
i obtained the same for the second Li example and the another found in
examples folder.

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 ?

            ######## T E R N H E I M E R
http://www.sternheimergw.org/
           ###     ###
          ###       ##                  #######
#                      #
          ###                         ##       ###     #
##          #
           ###                      ##            #     #
##         #
            #####                  #                     #       #  #
#
   ///         #####      \\\     #                      #       #  #
#
  ///             ####     \\\    #                       #     #    #     #
 ///                ###     \\\   #         #########     #     #    #     #
(((                  ###     )))  #                 #      #   #      #   #
 \\\    ###          ###    ///    #                #      #   #      #   #
  \\\    ###        ###    ///      #              #        # #        # #
   \\\    ###      ###    ///        #           ##         ###        ###
           ##########                 ###########            #          #


     Program SternheimerGW v.0.15 starts on  5Apr2019 at 10:52:17

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details
at
     http://www.quantum-espresso.org/quote

     Serial version

     Please cite SternheimerGW as:
         M. Schlipf, H. Lambert, N. Zibouche, and F. Giustino,
SternheimerGW,
         paper in preparation, URL http://www.sternheimergw.org

     To increase the reproducibility of your results you can mention the
     git description of this version: unknown

     other relevant papers:
         H. Lambert and F. Giustino, Phys. Rev. B 88, 075117 (2013)
         F. Giustino, M. L. Cohen, and S. G. Louie, Phys. Rev. B 81, 115105
(201
0)

     Reading data from directory:
     ./tmp/si.save/

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation      = PZ ( 1  1  0  0 0 0)
     Any further DFT definition will be discarded
     Please, verify this is what you really want


     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         235     235     85                 2277     2277     531



     Coulomb Perturbations for ( 4, 4, 4,)  uniform grid of q-points
     (   8q-points):
       N         xq(1)         xq(2)         xq(3)
       1   0.000000000   0.000000000   0.000000000
       2  -0.250000000   0.250000000  -0.250000000
       3   0.500000000  -0.500000000   0.500000000
       4   0.000000000   0.500000000   0.000000000
       5   0.750000000  -0.250000000   0.750000000
       6   0.500000000   0.000000000   0.500000000
       7   0.000000000  -1.000000000   0.000000000
       8  -0.500000000  -1.000000000   0.000000000

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine ggens (2):
     mismatch in number of G-vectors
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%


someone can explain at what these errors are due to ?

thanks in advance for your answer,
Anne-Sophie
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