While writing plotband.in for Si as in example 05 how to select range -6.0 10, Fermi energy 6.255 and what does 1.0 6.255 in the next line indicate? Similarly inplotrho.in how to choose 0 0.09 6? How to decide ecutwfc- 18.0?, conv_thr: 1.0d-8, mixing-beta:0.7 Criteria to manully write k-points and where to find k values for different lattice types or space groups? These are some basic querries so as to be able to write a new case. I shall be obliged if any body can help by giving relevant details or references. Thanks. K. S. Sharma The IIS University Jaipur Sent from BlackBerry? on Airtel
