[SIESTA-L] Best linux version and compiler for Siesta and Utils

Hi again dear Siesta users, Since I'm new to Siesta, facing some compiler problems, for example, I can make Siesta working but can not compile some of the utilities because of my compiler/Linux version. Which Linux version and Fortran compiler would you kindly suggest me to use and to compile

[SIESTA-L] plstm problem

Dear SIESTA users, I am using OpenSUSE Linux 10.3 and installed following packages to compile SIESTA utilities: 1) gcc-fortran (4.2) //The system GNU Compiler 2) gcc42-fortran (4.2.1_20070724) //The GNU Fortran Compiler and Support Files 3) libgfortran 42 (4.2.1_20070724) //The GNU Fortran Compile

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

> Dear all siesta users: > > I have compiled the rho2xsf and Xcrysden succesfully,and I use > the rho2xsf to transform the file.RHO to file.XSF format, > it looks like working well, > but when I use the Xcrysden to display the file.XSF,I can get the > atom structure only,I can't find the charge d

[SIESTA-L] Plrho compilation problem

Hello Siesta users, I'm using: * Mandriva Linux 2008 * g95 compiler * Siesta 2.0.1 I've compiled these packages: * Siesta * Utils from Andre Postnikov (xv2xsf, ...) * General Utils (eig2dos, gnubands, ...) * xCrysDen package * JMol package using g95 Fortran compiler. I can now run Siesta and s

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

do you ever try to click "Tools" in the panel ? On Wed, Oct 29, 2008 at 10:29 PM, zhiyong wang <[EMAIL PROTECTED]>wrote: > Dear all siesta users: > >I have compiled the rho2xsf and Xcrysden successfully,and I use > the rho2xsf to transform the file.RHO to file.XSF format,it looks lik

Re: [SIESTA-L] phonon spectrum

Hi, I don't know anything about the Vibra tools, but I guess you can always cheat those tools saying your system is composed of only two atoms. Of course, you also must supply the correct FC matrix for those, extracted from Siesta's *.FC file. Best, Roberto On Fri, 24 Oct 2008, Zhanyu Ni

[SIESTA-L] help about rho2xsf!!!

Dear all siesta users: I have compiled the rho2xsf and Xcrysden successfully,and I use the rho2xsf to transform the file.RHO to file.XSF format,it looks like working well,but when I use the Xcrysden to display the file.XSF,I can get the atom structure only,I can't find the charge density.

[SIESTA-L] Multigrig solver for Poisson Equation

Hi All. In a recent article about SIESTA (J. Phys.: Condens. Matter 20 (2008) 064208), I read that "a multigrid solver for the Poisson equation on the grid has been implemented [reference 22 in the article]. Did anybody now where I can found a subroutine that do this, until this version of Siesta