Dear all, I'm trying to understand the process of calculating fatbands like in PP/examples/example05.
Here is my problem: When I use lsym=.TRUE. in the input of bands.x, I get the output file with 3 columns similar to feo_af.bands.all with the kpoints, energies and weights. However, some of the band crossings seem wrong. When I use lsym=.FALSE. in the input of bands.x, the band crossing problem is solved (at least partially), but i dont get the weighted 3 column output file of the bandstructure. My question is: Is there a physical reason why the weighted bands cannot be obtained when lsym=.TRUE. is used in the input of bands.x, or is it just not implemented? Thank you Matthieu Fortin-Deschênes Polytechnique Montréal _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
