Dear Zyli, Well, I have not used the bands.x program, but you can obtain a "clean" bands file, i.e., one containing only the k-points coordinates and the ordered eigenvalues -along with an estimate crossing- using pp.x
&inputpp tmp_dir='your_tmp_dir' prefix='your_prefix' filband='your_desired_bands_file' / Then you can use the program band_plot.x to get a file ready to use with gnuplot (you should feed the program with the number of calculated bands, the number of bands you want to plot, the fermi energy -do not worry if you have not calculated it, you can just put it to zero-, the name of the file produced by pp.x and the output file, and that's it. If you want to know exactly what band_plot.x does, take a look at the $PW/pwtools/band_plot.f90 file. By the way: I guess the combination of pp.x / band_plot.x program is broken because of the use of different formats in the write statement at punch_bands.f90 (line 135) and in the read statement of band_plot.f90 (lines 34 and 36)... If you change line 36 of band_plot.f90 in order to agree with format in line 135 of punch_band.f90 -i.e.: format(10f8.3) everything should work fine. Best regards, Felipe > Dear PWscf users: > > When i finished a nscf calculation for bands, how > can I use bin/bands.x and bin/band_plot.x to plot it? > > Thanks! > > ZYLI > > =================================================================== > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
