Re: [SIESTA-L] GNUBANDS: maxs

2005-02-18 Thread Marcos Verissimo Alves
The number of spin states of the electrons. Since the electrons can only have spins + and - 1/2, it doesn't make sense to change it. On Fri, 2005-02-18 at 18:40, wrote: > Ok, but what is maxs? > > > - Original Message Follows - > From: Marcos Verissimo Alves <[EMAIL PROTECTED]> > To: SIES

[SIESTA-L] GNUBANDS: maxs

2005-02-18 Thread
Ok, but what is maxs? - Original Message Follows - From: Marcos Verissimo Alves <[EMAIL PROTECTED]> To: SIESTA-L@LISTSERV.UAM.ES Subject: Re: [SIESTA-L] GNUBANDS Date: Fri, 18 Feb 2005 17:23:56 -0200 > > Edit the gnubands.f file and look for the following line: > > parameter

Re: [SIESTA-L] GNUBANDS

2005-02-18 Thread Marcos Verissimo Alves
Edit the gnubands.f file and look for the following line: parameter (maxk=1000, maxb=100, maxs=2) And change the parameters maxk and maxb to numbers suitable to your case. These numbers can be set by looking at the EIG file. The first line of the EIG file is the fermi level; in the

Re: [SIESTA-L] GNUBANDS

2005-02-18 Thread Jeverson
Hello! You need to change the dimension in gnubands.f : parameter (maxk=10, maxb=1, maxs=2) Re-compile and try to use it. Sincerely yours. __ Jeverson Teodoro Arantes Junior Instituto de Física da USP - IFUSP R. do Matão, Trv. R, 187 Cid.

[SIESTA-L] GNUBANDS

2005-02-18 Thread
Hello! I have problem with running GNUBAND program. I want to transform file .bands into file plottable by GNUPLOT. I use this: ./gnubands < Au2.bands > Au23_chain.bands And i get this: "STOP Dimensions in gnubands too small statement executed" Can you help me to fix it? Sincerely yours, Ale