Hi, <br>You need specify the number of bands when you adopt 'fixed' scheme for insulators.<br><br>Hope it helps<br>Regards<br><br>Hai-Ping<br><br><div class="gmail_quote">On Thu, Sep 3, 2009 at 3:02 PM, dev sharma <span dir="ltr"><<a href="mailto:decboy9@gmail.com">decboy9@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Hi 2 All,<br><br> I have calculated the band structure of my system with occupancy =fixed as it is insulator. Then i tried to calculated LDOS and PDOS of the system using projwfc.x. But when i am plotting my total DOS i.e. the file "prefix.pdos_tot" , i am getting the DOS only corresponding to valance band. The conduction band peaks are missing. Means i am getting the <br>
# E (eV) dos(E) pdos(E)<br>-15.000 0.916E-07 0.915E-07<br>/<br>/<br>7.210 0.585E-04 0.582E-04<br><br>i.e. the energy range is Emin=-15 to Emax=7 ev, whereas my input file for projwfc is listed below, where i have given my Emax=15,<br>
&INPUTPP<br>prefix='yvo',<br>outdir='/home/physics/work/yvo/temp',<br>ngauss=0,<br>degauss=0.02,<br>DeltaE=0.01,<br>Emin=-15,<br>Emax=15,<br>/<br><br>Please help. Thankful to all of you.<br><font color="#888888"><br>
Dev Sharma,<br>
University of delhi<br>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Hai-Ping Lan <br>Department of Electronics ,<br>Peking University , Bejing, 100871<br><a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn">hplan@pku.edu.cn</a><br>