Hi, In the siesta manual that can be found online you have instructions on how to generate psf file from input file.
To generate the pseudopotential do the following; $ sh ../pg.sh O.tm2.inp (Where o.tm2.inp is an example of an input file.) Regards, Varrun Ashok On 11 April 2011 15:37, Ehsan Shakerzadeh <[email protected]> wrote: > Dear all, > > I install Siesta2.0 on opensuse and its test successfully. but > unfortunately when I use the test of SIESTA3.0 to be runned with Siesta2.0 > it does not run. I want to run DFT Calculation on nanotube. The problem > is in pesudopotentials . When I use the .psf file the program does not work. > But in the test file there is a file by .pesudopotenial format. How can I > generate it. Any help is appreciated. I am new with SIESTA. > > Regards > > Ehsan Shakerzadeh > >
