<div dir="ltr"><div>Dear Prof. Paolo and QE users,</div><div><br></div><div>Sorry to trouble you. The Cray system here doesn't allow the visualization tool to run at the terminal and again, I have noticed that "plotband.x" must run only using a single core. Therefore, I have submitted a job script to run the "plotband.x" using a single core. </div><div><br></div><div>Although it seems to work fine, there is an error at the output file as given below,</div><div><br></div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     Error in routine plotband (1):<br>     too many lines <br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br></div><div><br></div><div>I have searched an earlier QE mailing list saying about change of <span style="color:rgb(0,0,0);white-space:pre-wrap">"max_lines" value and re-compile. But in my input file at the band, I have used only 8 symmetrical k-points as given below</span></div><div><span style="color:rgb(0,0,0);white-space:pre-wrap"><br></span></div><div><span style="color:rgb(0,0,0);white-space:pre-wrap">=========</span></div><div><span style="color:rgb(0,0,0);white-space:pre-wrap"><br></span></div><div> K_POINTS crystal_b<br>8<br>0.0000000000    0.0000000000    0.0000000000 50<br>0.5000000000    0.0000000000    0.0000000000 50<br>0.3333333333    0.3333333333    0.0000000000 50<br>0.0000000000    0.0000000000    0.0000000000 50<br>0.0000000000    0.0000000000    0.5000000000 50<br>0.5000000000    0.0000000000    0.5000000000 50<br>0.3333333333    0.3333333333    0.5000000000 50<br>0.0000000000    0.0000000000    0.0000000000 50<br></div><div><br></div><div>============</div><div><br></div><div>Kindly let me know what is wrong here. My plotband.out is given as below</div><div><br></div><div>==========</div><div><br></div><div>     Input file > Reading   13 bands at    351 k-points<br>Range:  -66.7920   -6.1370eV  Emin, Emax > high-symmetry point:  0.0000 0.0000 0.0000   x coordinate   0.0000<br>high-symmetry point:  0.5102 0.2945 0.0000   x coordinate   0.5891<br>high-symmetry point:  0.3401 0.5891 0.0000   x coordinate   0.9292<br>high-symmetry point:  0.0000 0.0000 0.0000   x coordinate   1.6094<br>high-symmetry point:  0.0000 0.0000 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.0102 0.0059 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.0204 0.0118 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.0306 0.0177 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.0408 0.0236 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.0510 0.0295 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.0612 0.0353 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.0714 0.0412 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.0816 0.0471 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.0918 0.0530 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.1020 0.0589 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.1122 0.0648 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.1224 0.0707 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.1326 0.0766 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.1428 0.0825 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.1531 0.0884 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.1633 0.0943 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.1735 0.1001 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.1837 0.1060 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.1939 0.1119 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.2041 0.1178 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.2143 0.1237 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.2245 0.1296 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.2347 0.1355 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.2449 0.1414 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.2551 0.1473 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.2653 0.1532 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.2755 0.1591 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.2857 0.1649 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.2959 0.1708 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3061 0.1767 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3163 0.1826 0.0536   x coordinate   1.6630<br></div><div>high-symmetry point:  0.3265 0.1885 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3367 0.1944 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3469 0.2003 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3571 0.2062 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3673 0.2121 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3775 0.2180 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3877 0.2239 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3979 0.2297 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4081 0.2356 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4183 0.2415 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4285 0.2474 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4387 0.2533 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4489 0.2592 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4591 0.2651 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4694 0.2710 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4796 0.2769 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4898 0.2828 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.5000 0.2887 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.5102 0.2945 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.5068 0.3004 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.5034 0.3063 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.5000 0.3122 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4966 0.3181 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4932 0.3240 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4898 0.3299 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4864 0.3358 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4830 0.3417 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4796 0.3476 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4762 0.3535 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4728 0.3593 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4694 0.3652 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4660 0.3711 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4626 0.3770 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4591 0.3829 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4557 0.3888 0.0536   x coordinate   1.6630<br></div><div>high-symmetry point:  0.4523 0.3947 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4489 0.4006 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4455 0.4065 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4421 0.4124 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4387 0.4183 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4353 0.4241 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4319 0.4300 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4285 0.4359 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4251 0.4418 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4217 0.4477 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4183 0.4536 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4149 0.4595 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4115 0.4654 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4081 0.4713 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4047 0.4772 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.4013 0.4831 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3979 0.4889 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3945 0.4948 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3911 0.5007 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3877 0.5066 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3843 0.5125 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3809 0.5184 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3775 0.5243 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3741 0.5302 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3707 0.5361 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3673 0.5420 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3639 0.5479 0.0536   x coordinate   1.6630<br>high-symmetry point:  0.3605 0.5537 0.0536   x coordinate   1.6630<br></div><div><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>     Error in routine plotband (1):<br>     too many lines<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>     stopping ...<br></div><div><br></div><div>Thanks</div><div><br></div><div>venkatesh</div><div>IAP department</div><div>IISc Bangalore</div><div><br></div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><br></blockquote></div></div>