Hi > 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' > /
now I remember...the bands.x code was meant to do exactly the same thing. Since the postprocessing code pp.x is doing too many different things, it was planned to split it into several smaller pieces. The process was started but not completed, so that energy bands are still calculated by pp.x (and bands.x does not work). > 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)... thank you for bringing this to our attention: it will be fixed Paolo -- Paolo Giannozzi e-mail: giannozz at nest.sns.it Scuola Normale Superiore Phone: +39/050509412 Piazza dei Cavalieri 7 Fax: +39/050509417, 050563513 I-56126 Pisa, Italy Office: Lab. NEST, Via della Faggiola 19
