[SIESTA-L] Problems with grid2cube

I am trying to do visualizations of the charge density for non-spin-polarized silicon nanowire. After relaxation, I try to run grid2cube with the following syntax (my input file for g2c is SiNW.g2c and for simplicity's sake, my system label will be referred to as S_L): ./grid2cube.out SiNW.g2c

Re: [SIESTA-L] ANNOUNCE: LDA GGA pseudo databases

Dear users, I've uploaded the new version of the database. Now each pseudo has it's own web page with info about the matching radii, occupations, plots of the pseudos, and, if present the core charge density with its corresponding radius. As always any comments/suggestions are really

Re: [SIESTA-L] Spin polarization

Dear Eduardo (and José), I don't think I can imagine some way in which incomplete scf convergence could cause the deviation, since the DM is supposed to be normalized at each step, correct me if I'm wrong... The electronic temperature might be able to cause such thing, but I'm definitely getting

Re: [SIESTA-L] Fw: [SIESTA-L] help in band structure

Dear Sonia, You have 5 atomic orbital in your Basis therefore you will get 5 bands. You should change the basis to get more bands. Regards, Reza - Original Message From: Sonia Mehra [EMAIL PROTECTED] To: SIESTA-L@listserv.uam.es Sent: Thursday, April 3, 2008 3:37:25 AM Subject:

Re: [SIESTA-L] ANNOUNCE: LDA GGA pseudo databases

To Eduardo: I have tried to get the Si ' s pseudo but it's said *ATENCIÓN*: *La página solicitada no se ha encontrado o el vínculo seguido es erróneo. Por favor, disculpe la molestia.* *WARNING*: *The requested object does not exist on this server. The link you followed is either