<div>Dear sanjeev</div>
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<div><span class="gmail_quote">On 9 Dec 2006 04:44:31 -0000, <b class="gmail_sendername">Sanjeev Kumar Gupta</b> <<a href="mailto:sanjeev0302@rediffmail.com">sanjeev0302@rediffmail.com</a>> wrote:</span>
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<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?</p></blockquote>
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<div>dis is done in espresso code automatically for scf and nscf but for plotting band structure you should do it manually </div><br>
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<p>2)Is possible fermi energy negative for noble nitrides?</p></blockquote>
<div>I thought it is possible.negative or positive Fermi energy doesn't have physical meaning.</div>
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<p>3)Is neccessary same k-points for scf and nscf cycle or phX,phL and phG.?<br>no you can change it.for scf and nscf.usually the kpoint for scf calculation is smaller than nscf.about phX,phL and phG i don't have any idea.
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<div>good luck</div>
<div>amin</div><br>
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<p>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: <a onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:sanjeev0302@rediffmail.com" target="_blank">
sanjeev0302@rediffmail.com</a> <br>      <a onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:sanjeev0302@yahoo.co.in" target="_blank">sanjeev0302@yahoo.co.in</a>  <br>      <a onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:skgupta-phy@msubaroda.ac.in" target="_blank">
skgupta-phy@msubaroda.ac.in</a> <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  
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</a> </blockquote></div><br><br clear="all"><br>-- <br>AMIN