Dear Ming:<div>I have less experience in bulk projected band structure.</div><div>I think you can do scf calculation with less k-points in three directions.</div><div>Then switch to nscf calculation for dense k-points in z-direction, similar with dos calculation.</div>
<div><br><div class="gmail_quote">On Sat, Apr 30, 2011 at 11:34 AM, wenmei ming <span dir="ltr"><<a href="mailto:iphyboy@gmail.com">iphyboy@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Dear all,<div><br></div><div>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?</div>
<div><br></div><div>Thanks so much in advance.</div><div><br></div><div>Jack Ming</div>
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<br></blockquote></div><br><br clear="all"><br>-- <br>____________________________________<br>Hui Wang<br>School of physics, Fudan University, Shanghai, China<br>
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