[Pw_forum] problem with k-points

Sanjeev Kumar Gupta sanjeev0302 at rediffmail.com
Sat Dec 9 05:44:31 CET 2006

Respected sir,

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

with regards
sanjeev gupta

Sanjeev Kumar Gupta
Junior Research Fellow (DAE-BRNS)
Computational Condensed Matter Physics Lab.(CCMP)
Department of Physics, Faculty of Science,
The M.S.University of Baroda, Vadodara - 390 002.
Ph.No: +91-265-279 5339 (O) extn: 30-25 
Email: sanjeev0302 at rediffmail.com
       sanjeev0302 at yahoo.co.in 
       skgupta-phy at msubaroda.ac.in

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Pratapgunj,Vadodara-390 002,Gujarat,INDIA 
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