From: Lin-wang Wang (lwwang_at_lbl.gov)
Date: 04/05/2001
Dear NERSC user: There is a new plane wave pseudopotential density functional theory code (PEtot) available for large system ab initio electronic structure calculations. This is an open source code, developed by NERSC staff. It is specifically designed for large system simulations. You are welcome to use it if it suits your needs, and help is available from the developer of the code to run it on NERSC machines mcurie and gseaborg. Your comments and suggestions would also be appreciated. To check the features and to download the code, please look at: http://www.nersc.gov/~linwang/PEtot/PEtot.html Best Lin-Wang Wang Staff Scientific computing group NERSC