Dear Ming: I have less experience in bulk projected band structure. I think you can do scf calculation with less k-points in three directions. Then switch to nscf calculation for dense k-points in z-direction, similar with dos calculation.
On Sat, Apr 30, 2011 at 11:34 AM, wenmei ming <iphyboy at gmail.com> wrote: > Dear all, > > I'm going to plot bulk projected band structure on a 2D BZ. I'm > guessing(take x-y plane 2D for example) for every k point in xy plane (K_x, > k_y, 0.0) I have to calculate all other energies with different k_z. By this > way the final energy band structure with K index only on xy plane is > so-called bulk projected band structure. But one problem for this I need to > specify too much k-points, so I am wondering if there is a more efficient > way to do this? Can someone share your experience in this? > > Thanks so much in advance. > > Jack Ming > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- ____________________________________ Hui Wang School of physics, Fudan University, Shanghai, China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110430/346ebdbb/attachment.htm
