Hi, I wish to know if the GWW code calculates total energies of the ground state, such that can be used to obtain defect formation energies or elastic constants. If not GWW, is there any code with that capability?
-- Eduardo Menendez Departamento de Fisica Facultad de Ciencias Universidad de Chile Phone: (56)(2)9787439 URL: http://fisica.ciencias.uchile.cl/~emenendez -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110530/5cc8d06b/attachment.htm
