[SIESTA-L] problem in pesudopotentials ??

Mon, 11 Apr 2011 03:04:48 -0700 






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

 






















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