Dear Prof. Paolo and QE users, 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.
Although it seems to work fine, there is an error at the output file as given below, %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine plotband (1): too many lines %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% I have searched an earlier QE mailing list saying about change of "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 ========= K_POINTS crystal_b 8 0.0000000000 0.0000000000 0.0000000000 50 0.5000000000 0.0000000000 0.0000000000 50 0.3333333333 0.3333333333 0.0000000000 50 0.0000000000 0.0000000000 0.0000000000 50 0.0000000000 0.0000000000 0.5000000000 50 0.5000000000 0.0000000000 0.5000000000 50 0.3333333333 0.3333333333 0.5000000000 50 0.0000000000 0.0000000000 0.0000000000 50 ============ Kindly let me know what is wrong here. My plotband.out is given as below ========== Input file > Reading 13 bands at 351 k-points Range: -66.7920 -6.1370eV Emin, Emax > high-symmetry point: 0.0000 0.0000 0.0000 x coordinate 0.0000 high-symmetry point: 0.5102 0.2945 0.0000 x coordinate 0.5891 high-symmetry point: 0.3401 0.5891 0.0000 x coordinate 0.9292 high-symmetry point: 0.0000 0.0000 0.0000 x coordinate 1.6094 high-symmetry point: 0.0000 0.0000 0.0536 x coordinate 1.6630 high-symmetry point: 0.0102 0.0059 0.0536 x coordinate 1.6630 high-symmetry point: 0.0204 0.0118 0.0536 x coordinate 1.6630 high-symmetry point: 0.0306 0.0177 0.0536 x coordinate 1.6630 high-symmetry point: 0.0408 0.0236 0.0536 x coordinate 1.6630 high-symmetry point: 0.0510 0.0295 0.0536 x coordinate 1.6630 high-symmetry point: 0.0612 0.0353 0.0536 x coordinate 1.6630 high-symmetry point: 0.0714 0.0412 0.0536 x coordinate 1.6630 high-symmetry point: 0.0816 0.0471 0.0536 x coordinate 1.6630 high-symmetry point: 0.0918 0.0530 0.0536 x coordinate 1.6630 high-symmetry point: 0.1020 0.0589 0.0536 x coordinate 1.6630 high-symmetry point: 0.1122 0.0648 0.0536 x coordinate 1.6630 high-symmetry point: 0.1224 0.0707 0.0536 x coordinate 1.6630 high-symmetry point: 0.1326 0.0766 0.0536 x coordinate 1.6630 high-symmetry point: 0.1428 0.0825 0.0536 x coordinate 1.6630 high-symmetry point: 0.1531 0.0884 0.0536 x coordinate 1.6630 high-symmetry point: 0.1633 0.0943 0.0536 x coordinate 1.6630 high-symmetry point: 0.1735 0.1001 0.0536 x coordinate 1.6630 high-symmetry point: 0.1837 0.1060 0.0536 x coordinate 1.6630 high-symmetry point: 0.1939 0.1119 0.0536 x coordinate 1.6630 high-symmetry point: 0.2041 0.1178 0.0536 x coordinate 1.6630 high-symmetry point: 0.2143 0.1237 0.0536 x coordinate 1.6630 high-symmetry point: 0.2245 0.1296 0.0536 x coordinate 1.6630 high-symmetry point: 0.2347 0.1355 0.0536 x coordinate 1.6630 high-symmetry point: 0.2449 0.1414 0.0536 x coordinate 1.6630 high-symmetry point: 0.2551 0.1473 0.0536 x coordinate 1.6630 high-symmetry point: 0.2653 0.1532 0.0536 x coordinate 1.6630 high-symmetry point: 0.2755 0.1591 0.0536 x coordinate 1.6630 high-symmetry point: 0.2857 0.1649 0.0536 x coordinate 1.6630 high-symmetry point: 0.2959 0.1708 0.0536 x coordinate 1.6630 high-symmetry point: 0.3061 0.1767 0.0536 x coordinate 1.6630 high-symmetry point: 0.3163 0.1826 0.0536 x coordinate 1.6630 high-symmetry point: 0.3265 0.1885 0.0536 x coordinate 1.6630 high-symmetry point: 0.3367 0.1944 0.0536 x coordinate 1.6630 high-symmetry point: 0.3469 0.2003 0.0536 x coordinate 1.6630 high-symmetry point: 0.3571 0.2062 0.0536 x coordinate 1.6630 high-symmetry point: 0.3673 0.2121 0.0536 x coordinate 1.6630 high-symmetry point: 0.3775 0.2180 0.0536 x coordinate 1.6630 high-symmetry point: 0.3877 0.2239 0.0536 x coordinate 1.6630 high-symmetry point: 0.3979 0.2297 0.0536 x coordinate 1.6630 high-symmetry point: 0.4081 0.2356 0.0536 x coordinate 1.6630 high-symmetry point: 0.4183 0.2415 0.0536 x coordinate 1.6630 high-symmetry point: 0.4285 0.2474 0.0536 x coordinate 1.6630 high-symmetry point: 0.4387 0.2533 0.0536 x coordinate 1.6630 high-symmetry point: 0.4489 0.2592 0.0536 x coordinate 1.6630 high-symmetry point: 0.4591 0.2651 0.0536 x coordinate 1.6630 high-symmetry point: 0.4694 0.2710 0.0536 x coordinate 1.6630 high-symmetry point: 0.4796 0.2769 0.0536 x coordinate 1.6630 high-symmetry point: 0.4898 0.2828 0.0536 x coordinate 1.6630 high-symmetry point: 0.5000 0.2887 0.0536 x coordinate 1.6630 high-symmetry point: 0.5102 0.2945 0.0536 x coordinate 1.6630 high-symmetry point: 0.5068 0.3004 0.0536 x coordinate 1.6630 high-symmetry point: 0.5034 0.3063 0.0536 x coordinate 1.6630 high-symmetry point: 0.5000 0.3122 0.0536 x coordinate 1.6630 high-symmetry point: 0.4966 0.3181 0.0536 x coordinate 1.6630 high-symmetry point: 0.4932 0.3240 0.0536 x coordinate 1.6630 high-symmetry point: 0.4898 0.3299 0.0536 x coordinate 1.6630 high-symmetry point: 0.4864 0.3358 0.0536 x coordinate 1.6630 high-symmetry point: 0.4830 0.3417 0.0536 x coordinate 1.6630 high-symmetry point: 0.4796 0.3476 0.0536 x coordinate 1.6630 high-symmetry point: 0.4762 0.3535 0.0536 x coordinate 1.6630 high-symmetry point: 0.4728 0.3593 0.0536 x coordinate 1.6630 high-symmetry point: 0.4694 0.3652 0.0536 x coordinate 1.6630 high-symmetry point: 0.4660 0.3711 0.0536 x coordinate 1.6630 high-symmetry point: 0.4626 0.3770 0.0536 x coordinate 1.6630 high-symmetry point: 0.4591 0.3829 0.0536 x coordinate 1.6630 high-symmetry point: 0.4557 0.3888 0.0536 x coordinate 1.6630 high-symmetry point: 0.4523 0.3947 0.0536 x coordinate 1.6630 high-symmetry point: 0.4489 0.4006 0.0536 x coordinate 1.6630 high-symmetry point: 0.4455 0.4065 0.0536 x coordinate 1.6630 high-symmetry point: 0.4421 0.4124 0.0536 x coordinate 1.6630 high-symmetry point: 0.4387 0.4183 0.0536 x coordinate 1.6630 high-symmetry point: 0.4353 0.4241 0.0536 x coordinate 1.6630 high-symmetry point: 0.4319 0.4300 0.0536 x coordinate 1.6630 high-symmetry point: 0.4285 0.4359 0.0536 x coordinate 1.6630 high-symmetry point: 0.4251 0.4418 0.0536 x coordinate 1.6630 high-symmetry point: 0.4217 0.4477 0.0536 x coordinate 1.6630 high-symmetry point: 0.4183 0.4536 0.0536 x coordinate 1.6630 high-symmetry point: 0.4149 0.4595 0.0536 x coordinate 1.6630 high-symmetry point: 0.4115 0.4654 0.0536 x coordinate 1.6630 high-symmetry point: 0.4081 0.4713 0.0536 x coordinate 1.6630 high-symmetry point: 0.4047 0.4772 0.0536 x coordinate 1.6630 high-symmetry point: 0.4013 0.4831 0.0536 x coordinate 1.6630 high-symmetry point: 0.3979 0.4889 0.0536 x coordinate 1.6630 high-symmetry point: 0.3945 0.4948 0.0536 x coordinate 1.6630 high-symmetry point: 0.3911 0.5007 0.0536 x coordinate 1.6630 high-symmetry point: 0.3877 0.5066 0.0536 x coordinate 1.6630 high-symmetry point: 0.3843 0.5125 0.0536 x coordinate 1.6630 high-symmetry point: 0.3809 0.5184 0.0536 x coordinate 1.6630 high-symmetry point: 0.3775 0.5243 0.0536 x coordinate 1.6630 high-symmetry point: 0.3741 0.5302 0.0536 x coordinate 1.6630 high-symmetry point: 0.3707 0.5361 0.0536 x coordinate 1.6630 high-symmetry point: 0.3673 0.5420 0.0536 x coordinate 1.6630 high-symmetry point: 0.3639 0.5479 0.0536 x coordinate 1.6630 high-symmetry point: 0.3605 0.5537 0.0536 x coordinate 1.6630 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine plotband (1): too many lines %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... Thanks venkatesh IAP department IISc Bangalore >
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