[QE-users] plotband.x error
venky ch
chvenkateshphy at gmail.com
Fri Sep 17 18:53:11 CEST 2021
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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