[SIESTA-L] Problem with writing bands

Dear All, I have a problem with writing bands when I go above a certain number of orbitals for the system. The error message is that the record to be written to .bands is too long and the .bands file remains empty. Have you experienced this? It is independent on number of k points. I believe it

[SIESTA-L] Strange problem with basis set definition

Hi all, I have encountered a truly bizarre behaviour from SIESTA-1.3p (and SIESTA-2.0.x) when I am using my own defined basis sets: Basically, here is the input for basis definition for Indium with semi-core: (I am using the default "split" ) %block PAO.Basis In 3 n=4 2 1 5.50

Re: [SIESTA-L] help about rho2xsf!!!

> Can you teach how to compile the rho2xsf.f? You must have got it with the whole directory of tools (Sies2xsf), including other necessary Fortran sources, and Makefile. Correct two lines in the Makefile, FC = ... and FFLAGS = ... , to you needs (as in arch.make of Siesta) and type "make". Read t