[Pw_forum] kpoints along sym directions in k-lattice of hexagonal, valence and core charge density in atomic code ?

sonu kumar 1009ukumar at gmail.com
Mon Dec 13 12:44:49 CET 2010


Dear all QE users,

i have 2 questions?

1) what are the k points  along symmetry directions (
gamma-M-K-gamma-A-L-H-A, M-L, K-H  ) of reciprocal lattice of hexagonal unit
cell ?
   is there any tool to do so?  kpoint.x doesn't produce kpoints along
symmetry directions.

2) how to output the valence and core charge density in PP generation using
atomic code? what does " ld1.pwe" file contain?

hope that i haven't  asked too many q's.

with regards,
Sonu Kumar

Phd Student
Physics Department
Indian Institute of Technology
Delhi-110016, India
web:-http://www.iitd.ac.in/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20101213/5204895f/attachment.html>


More information about the users mailing list