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by hari
Mon Jan 30, 2012 5:39 am
Forum: Ground state
Topic: initial guess for density
Replies: 0
Views: 1645

initial guess for density

Hi, I am working on Finite element method for electronic structure calculations. I am facing convergence problem, when I try to run my code for nanoribbons or nanotube. I have validated my code for bulk Silicon, GaAS, and Graphene. Also, I have checked my input parameters for AGNR10 with abinit code...