[SIESTA-L] SIESTA 3.0

Dear SIESTA Developers, Would it be possible to know when the next version, SIESTA 3.0 will be released? Thanks, -- Sophia

[SIESTA-L] using files of a previous run

Dear Siesta users, I have converged results for a big system of 300 atoms. Now if I change one of the lattice parameters, and do a new calculation, what files of the previous run I can use safely? If I use the previous DM file for the new calculation, the new calculation will start from a

Re: [SIESTA-L] Calculation of Si bulk properties

Thanks a lot for outstanding support and help from the group. On Sun, Mar 30, 2008 at 10:22 PM, Sophia Nishad [EMAIL PROTECTED] wrote: Hi, I am a new user of SIESTA. I have been trying to reproduce the results for Si as mention in Soler et. al 2002 paper, before I go for my actual

[SIESTA-L] Calculation of Si bulk properties

Hi, I am a new user of SIESTA. I have been trying to reproduce the results for Si as mention in Soler et. al 2002 paper, before I go for my actual calculations. I have used the DZP Basis mentioned at http://www.uam.es/departamentos/ciencias/fismateriac/siesta/ Pseudopotential at