Re: [SIESTA-L] Gold - Problem with factorization of B (part 2)

On Mon, 10 Jan 2005, Aleksey Kletsovfunky wrote: | Yes, they are default values. | | So what are the ways to avoid crashing diagonalization? To describe your structure correctly. At the moment you have two atoms in your cell which occupy identical positions. This is not what you want, and this

[SIESTA-L] Gold - Problem with factorization of B (part 2)

Thank you, Dr. Postnikov! Yes, they are default values. So what are the ways to avoid crashing diagonalization? P.S. What is this B? - Original Message Follows - From: Andrei Postnikov [EMAIL PROTECTED] To: SIESTA-L@LISTSERV.UAM.ES Subject: Re: [SIESTA-L] Gold - Problem with