[SIESTA-L] Anyone know how Siesta calculate the Fermi Level

For example, I define a unit cell, ask SIESTA to calculate the band structure. The result also including the Fermi level, how SIESTA calculate that Fermi Level? Thank you

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

Can you teach how to compile the rho2xsf.f? On Wed, Oct 29, 2008 at 9:29 AM, zhiyong wang zhiyongwang...@gmail.comwrote: 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

[SIESTA-L] How to introduce vacuum layer?

I guess the surface will face air as default, is that right? Thank you

Re: [SIESTA-L] ForceTol for each atom

kind of helpful, thank you On Fri, Feb 13, 2009 at 10:32 AM, Ulrich Biedermann biederm...@mpie.dewrote: When you set LongOutput .TRUE. the forces will appear in the standard output file for each cycle. Also see the WriteForces input flag in the manual (Otput files/Standard

[SIESTA-L] ForceTol for each atom

For geometry relaxation we will define the MD.MaxForceTol to certain value such as 0.04eV/ang . Anyone know how can I find the force error on each atom for certain step? thank you,

[SIESTA-L] how to read .pdos

For output .pdos files all PDOS values are in each orbital as n,l,m,z, in text How to convert it into a date format?