<div dir="ltr"><div class="gmail_default" style="font-family:courier new,monospace;font-size:small">Hi, <br></div><div class="gmail_default" style="font-family:courier new,monospace;font-size:small">running module pw4gww.x, I obtain this error message</div><br>'Error in routine ggen (589): too many g-vectors<div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default">​'</div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default">this is my setting for the run</div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default">&inputpw4gww<br>prefix ='SnI4_Cs_SR'<br>num_nbndv(1)=50<br>num_nbnds=60<br>l_truncated_coulomb=.false.<br>numw_prod=2000<br>pmat_cutoff=3.d0<br>outdir = './tmp_qe'<br>s_self_lanczos=1.d-13<br>nsteps_lanczos_self=90<br>l_big_system=.true.<br>s_first_state=50<br>s_last_state=51<br>l_verbose=.true.</div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default">and this is my geometry, and scf, nscf, head, and nscf (in gamma point), converged correctly</div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default">&CONTROL<br><br>                       title = 'SnI4-Cs_SR' ,<br>                 calculation = 'scf' ,<br>                restart_mode = 'from_scratch' ,<br>                      outdir = './tmp_qe' ,<br>                  pseudo_dir = '/home/alberto/QUANTUM_ESPRESSO/BASIS/upf_files/' ,<br>                      prefix = 'SnI4_Cs_SR' ,<br>                   verbosity = 'high' ,<br>               etot_conv_thr = 1.0D-8 ,<br>               forc_conv_thr = 1.0D-7 ,<br>                  wf_collect = .true.<br> /<br> &SYSTEM<br>                       ibrav = 14,<br>                           A = 8.6885 ,<br>                           B = 18.000 ,<br>                           C = 8.6384 ,<br>                       cosAB = 0.00 ,<br>                       cosAC = 0.00 ,<br>                       cosBC = 0.00 ,<br>                         nat = 14 ,<br>                        ntyp = 3,<br>                     ecutwfc = 70 ,<br>                       nosym = .true. ,<br> /<br> &ELECTRONS<br> /<br>ATOMIC_SPECIES<br>Sn 118.71000  Sn.pbe-hgh.UPF<br>I  126.90000  I.pbe-hgh.UPF<br>Cs 132.90000  Cs.pbe-sp-hgh.UPF<br>ATOMIC_POSITIONS crystal<br>I    0.205100    0.357850    0.204700<br>I    0.294900    0.329790   -0.295300<br>I   -0.294900    0.357850    0.295300<br>Sn   -0.500000    0.343820    0.000000<br>Sn    0.000000    0.343820   -0.500000<br>I    0.483000    0.171910    0.025000<br>I    0.017000   -0.484270   -0.475000<br>I   -0.483000   -0.484270   -0.025000<br>Cs   -0.464756    0.190330    0.491913<br>Cs    0.464789    0.497311   -0.491897<br>I   -0.205100    0.329790   -0.204700<br>I   -0.017000    0.171910    0.475000<br>Cs   -0.035204    0.497282   -0.008021<br>Cs    0.035234    0.190343    0.008027<br>K_POINTS crystal<br>          32<br>  0.0000000   0.0000000   0.0000000   0.0625000<br>  0.1250000   0.1358683   0.3283072   0.0625000<br>  0.1250000   0.1358683  -0.3283072   0.0625000<br>  0.1250000   0.1358683  -0.1094357   0.0625000<br>  0.1250000   0.4076048   0.1094357   0.0625000<br>  0.1250000   0.4076048   0.3283072   0.0625000<br>  0.1250000   0.4076048  -0.3283072   0.0625000<br>  0.1250000   0.4076048  -0.1094357   0.0625000<br>  0.1250000  -0.4076048   0.1094357   0.0625000<br>  0.1250000  -0.4076048   0.3283072   0.0625000<br>  0.1250000  -0.4076048  -0.3283072   0.0625000<br>  0.1250000  -0.4076048  -0.1094357   0.0625000<br>  0.1250000  -0.1358683   0.1094357   0.0625000<br>  0.1250000  -0.1358683   0.3283072   0.0625000<br>  0.1250000  -0.1358683  -0.3283072   0.0625000<br>  0.1250000  -0.1358683  -0.1094357   0.0625000<br>  0.3750000   0.1358683   0.1094357   0.0625000<br>  0.3750000   0.1358683   0.3283072   0.0625000<br>  0.3750000   0.1358683  -0.3283072   0.0625000<br>  0.3750000   0.1358683  -0.1094357   0.0625000<br>  0.3750000   0.4076048   0.1094357   0.0625000<br>  0.3750000   0.4076048   0.3283072   0.0625000<br>  0.3750000   0.4076048  -0.3283072   0.0625000<br>  0.3750000   0.4076048  -0.1094357   0.0625000<br>  0.3750000  -0.4076048   0.1094357   0.0625000<br>  0.3750000  -0.4076048   0.3283072   0.0625000<br>  0.3750000  -0.4076048  -0.3283072   0.0625000<br>  0.3750000  -0.4076048  -0.1094357   0.0625000<br>  0.3750000  -0.1358683   0.1094357   0.0625000<br>  0.3750000  -0.1358683   0.3283072   0.0625000<br>  0.3750000  -0.1358683  -0.3283072   0.0625000<br>  0.3750000  -0.1358683  -0.1094357   0.0625000<br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default">regards <br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default">Al<br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default"><br></div><div style="font-family:courier new,monospace;font-size:small;display:inline" class="gmail_default">​</div><br><div class="gmail_default" style="font-family:courier new,monospace;font-size:small"><br></div></div>