Dear All: I am trying to plot band structure using gnubands in the Util/Bands directory. The bands file is generated with HPC cluster that uses ifort as a compiler with associated intel libraries. When I apply gnubands on the bands file to generate a data file to work with gnuplot, I get the following error:
At line 132 of file gnubands.f90 (unit = 5, file = 'stdin') Fortran runtime error: Bad real number in item 1 of list input Does gnubands work with results generated with ifort? Assuming that the error may be due to the intel compiler ifort, I installed siesta locally and compiled with gfortran compiler, then tried gnubands. Then I get similar results, but it seems the reason now is due to libgfortran missing (since it is not installed on HPC). Here is the error I get: At line 140 of file gnubands.f90 (unit = 5, file = 'stdin') Fortran runtime error: Bad integer for item 1 in list input Error termination. Backtrace: #0 0x2b0f58dfb940 in read_integer at ../.././libgfortran/io/list_read.c:1095 #1 0x2b0f58dff8c3 in list_formatted_read_scalar at ../.././libgfortran/io/list_read.c:2150 #2 0x402780 in ??? #3 0x4013fe in ??? #4 0x2b0f597c5554 in ??? #5 0x40142e in ??? #6 0xffffffffffffffff in ??? I tried to download libgfortran library, but it is not available separately on its own. Your suggestions would be highly appreciated. The bands file is attached.
ZnO.bands
Description: ZnO.bands
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