<P>
Respected sir,<BR>
<BR>
i am sanjeev gupta, from india, working DFT calculation via Quantum-Espresso-3.1.1. I have doubts with k-ponits,<BR>
1)How we choose k-points for diiferent system?<BR>
2)Is possible fermi energy negative for noble nitrides?<BR>
3)Is neccessary same k-points for scf and nscf cycle or phX,phL and phG.?<BR>
<BR>
<BR>
with regards<BR>
sanjeev gupta<BR>
<BR>

</P>


==================================================== <br>
Sanjeev Kumar Gupta <br>
Junior Research Fellow (DAE-BRNS) <br>
Computational Condensed Matter Physics Lab.(CCMP) <br>
Department of Physics, Faculty of Science, <br>
The M.S.University of Baroda, Vadodara - 390 002. <br>
Ph.No: +91-265-279 5339 (O) extn: 30-25  <br>
mobile:09374616019 <br>
Email: sanjeev0302@rediffmail.com <br>
       sanjeev0302@yahoo.co.in  <br>
       skgupta-phy@msubaroda.ac.in <br>
====================================================  <br>
<br>
Residential Address-  <br>
<br>
Dr. Vikram Sarabhai Hall,  <br>
Room No.-95, Boys' Hostel,M.S.University Campus,  <br>
Pratapgunj,Vadodara-390 002,Gujarat,INDIA  <br>
<br><br>
<a href="http://adworks.rediff.com/cgi-bin/AdWorks/sigclick.cgi/www.rediff.com/signature-home.htm/1507191490@Middle5?PARTNER=3"><IMG SRC="http://adworks.rediff.com/cgi-bin/AdWorks/sigimpress.cgi/www.rediff.com/signature-home.htm/1963059423@Middle5?OAS_query=null&PARTNER=3" BORDER=0 VSPACE=0 HSPACE=0></a>