[SIESTA-L] Help: About gen-basis in siesta-2.0

Dear siesta developer: Please forgive me for a dumb question since I just started using siesta. I have difficulty understanding how basis is defined in siesta. For example, in the manual, section 7.3 -- User.Basis

Re: [SIESTA-L] DOS SWCNT

Dear Marcos, Thank you very much for your answer. I was working with (n,n) tubes. I have performed a single cell calculation with the 1x1x75 kgrid_monkhorst_Pack and i got the correct results. Indeed, I was seeing the effect of the folding of the 1-d BZ. regards,

Re: [SIESTA-L] SCF Convergence

Dear Lan, I would at least try to raise the electronic temperature to 500.0 K or so, especially if your system is expcted to be metallic and I'd do the calculation spin polarized. Good luck, Riccardo En/na L. Li ha escrit: Dear All I am doing a total energy calculation of a strucutre