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://www.democritos.it/pipermail/pw_forum/attachments/20101213/5204895f/attachment.htm
