<DIV><BR><BR><B><I>Shen Li Qiu <qiu@fau.edu></I></B> wrote:
<BLOCKQUOTE style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid; WIDTH: 100%">Dear All,<BR>The hcp.klist in SRC_templates gives the klist from Sigma to M to K as<BR>follows.<BR><BR>SIGMA 10 0 0 40 2.0<BR>11 0 0 40 2.0<BR>12 0 0 40 2.0<BR>13 0 0 40 2.0<BR>14 0 0 40 2.0<BR>15 0 0 40 2.0<BR>16 0 0 40 2.0<BR>17 0 0 40 2.0<BR>18 0 0 40 2.0<BR>19 0 0 40 2.0<BR>M 20 0 0 40 2.0<BR>29 2 0 60 2.0<BR>28 4 0 60 2.0<BR>27 6 0 60 2.0<BR>26 8 0 60 2.0<BR>25 10 0 60 2.0<BR>24 12 0 60 2.0<BR>23 14 0 60 2.0<BR>22 16 0 60 2.0<BR>21 18 0 60 2.0<BR>K 20 20 0 60 2.0<BR><BR><BR>Why should kx jumps from 20 to 29 then decreases when it goes from M to K?<BR>It seems to me that kx should be constant (=20) from M to K.<BR><BR>Regards!<BR><BR>Shen Li Qiu<BR><BR><BR>_______________________________________________<BR>Wien mailing list<BR>Wien@zeus.theochem.tuwien.ac.at<BR>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</BLOCKQUOTE></DIV>k-point is given in the fractional for!
m of the
reciprocal lattices!<p><br><hr size=1><b>Do You Yahoo!?</b><br>
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