[SIESTA-L] How to dwell with this error ?

Dear All, I just came to an error below, would you please give me some hints about it ? The leading minor of order11 of B is not positive definite. The factorization of B could not be completed and no eigenvalues or eigenvectors were computed. Terminating due to failed

Re: [SIESTA-L] [SIESTA-] TM filed Nanotubes cordinates

Dear Michael, I recomend to use two programmes for generating coordinates for carbon nanotubes.They are tube gen and wrapping.These can be downloaded from onlone.Addresses are http://turin.nss.udel.edu/research/tubegenonline.html and

Re: [SIESTA-L] output file

J. Daniel Prades Garcia wrote: Orlin Blajiev wrote: Hi, I will very much appreciate if somebody tells me how to make the dump to the output file to happen more often Now I use siesta input.fdf output.out and sometimes especially on a big machine output.out is updated infrequently- I

Re: [SIESTA-L] [SIESTA-] TM filed Nanotubes cordinates

Hello Users I read many artcicle about tranition metal(TM) or other element filled Nanotubes i.e [EMAIL PROTECTED] I know there are some softwares which can generate the atomic cordinates of Nanotube. I dont know how we can find the atmic cordinates for Fe filled Nanotubes, bcos Fe may