On Thu, Oct 14, 2010 at 3:14 PM, Tram Bui <trambui at u.boisestate.edu> wrote: > Hi,
Welcome! > ? My name is Tram Bui and i'm new to the forum so i'm not quite sure how the > Q&A work, You can email any question to the mailing list. Make sure to use a clear subject and sign in the end of your email. If you reply from a PW-forum digest, please remove all irrelevant content so that other member can follow easily. >but today I want to try the forum with my very first question is > that: If i want to calculate the total energy based on lattice parameters of > SiC, how do you determine (or find) the ecutoff (kinetic energy cutoff of > wave function) value for a material structure such as SiC? You need to test this value. The total energy of a system will converge as increasing energy cutoff. > > Thank you, > Tram > > -- > Tram Bui > > B.S. Materials Science & Engineering > trambui at u.boisestate.edu -------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida. "Men don't need hand to do things"
