Re: [SIESTA-L] gnubands error

19, 2008 3:31 PM Subject: Re: [SIESTA-L] gnubands error Dear Ricardo, Increase value of 'maxk' parameter in 'gnubands.f' file in 'Util' directory and recompile it. All the best, Mariusz

Re: [SIESTA-L] gnubands error

Dear Ricardo, Increase value of 'maxk' parameter in 'gnubands.f' file in 'Util' directory and recompile it. All the best, Mariusz -- Dr Mariusz Krawiec Institute of PhysicsPhone: +48 81 537 6146 M

[SIESTA-L] gnubands error

Dear siesta users I'm trying to plot the band structure of a CH ribbons, but when executing gnubands < case.bands the following error appears Dimensions in gnubands too small In particular I'm trying to plot in the periodic direction of the system (/Gamma - X) This is the header of the case.bands:

Re: [SIESTA-L] gnubands

dear saswata, gnubands comes with SIESTA, compile file gnubands.f in Utils directory. xmgrace is not a part of SIESTA, but a free program called grace, available from the web. it comes with many linux distros, I have it as a part of my Fedora. On 27/03/07, Saswata Bhattacharya <[EMAIL PROTECTED]>

[SIESTA-L] gnubands

dear friends, i want to know whether gnubands and xmgrace are two software packages that comes with SIESTA package or not?I have installed SIESTA and it is running nicely but there i dont get access of the software gnubands and xmgrace.mostly i have read that to convert .bands file to .dat fil

Re: [SIESTA-L] GNUBANDS: maxs

[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 (maxk=1000, maxb=100, maxs=2) > > > &

[SIESTA-L] GNUBANDS: maxs

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: > &g

Re: [SIESTA-L] GNUBANDS

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

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

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