<html><head><style id="axi-htmleditor-style" type="text/css">p { margin: 0px; }</style></head><body dir="" style="font-size: 10pt; font-family: Source Sans Pro; background-image: none; background-repeat: repeat; background-attachment: fixed;">Dear Robert and all,<div>Thanks for your email. Indeed, the quantity I am looking for does not depend on the value of K<font size="1">z<font size="2">. The main issue is that the M<font size="1">mn</font> matrix should calculate on a Kx-Ky plane with any arbitrary K<font size="1">z</font>. Please look at the fallowing input files and let's me know if it's right or wrong.</font></font></div><div><font size="2">Hope to receive your comments.</font></div><div>*****************************************************<br></div><div><font size="2">num_bands = 12 <br>num_wann = 8 <br><br>!spinors = true<br>begin projections<br>Si : sp3<br>end projections</font></div><div><font size="2"><br></font></div><div><font size="2">one_dim_axis = z<br>dist_cutoff_mode = two_dim<br>dist_cutoff = 9.76<br>devel_flag=kmesh_degen <br>skip_B1_tests = .true.<br><br>begin unit_cell_cart<br>bohr<br>-5.1000 0.0000 5.1000<br> 0.0000 5.1000 5.1000<br>-5.1000 5.1000 0.0000<br>end unit_cell_cart<br><br>begin atoms_frac<br>Si 0.00 0.00 0.00 <br>Si -0.25 0.75 -0.25<br>end atoms_frac<br><br>mp_grid = 8 8 1<br><br>begin kpoints<br> 0.00000000 0.00000000 0.00000000 1.562500e-02 <br> 0.00000000 0.12500000 0.00000000 1.562500e-02 <br>. . .<br>end kpoints</font></div><div><font size="2">*************************************************</font></div><div><font size="2">Best, <br></font></div><div><font size="2">Ali Dehghan</font></div><div><font size="2">Shiraz university, Iran<br></font></div></body></html>