Dear All, Let me wish all of you a Happy New Year first.
Maybe this is a very fundamental problem, but I cannot google any hint online, so here I am. I would like to work out a free electron gas problem with QE. I know total number of charges, and the size of the box the electrons move in and probably periodic b.c. applied to it. Now how can I possibly set up the input file for it? It seems many fundamentional properties of a lattice do not come with free electron gas. The code itself should be well-defined for a lattice system, so how is the code adapted to the free electron problem? Thank you very much, Sincerely, Jun Liu -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120103/07714320/attachment.html
