Dear users,
Thank you very much for  the comments!
Dear Karim, Thanks for the input file for pt.psf. 
pe      Platinum
       tm2     2.5
n=Pt c=pbr
      0.0       0.0       0.0       0.0       0.0       0.0
   12   4
   6    0     1.00      0.00
   6    1     0.00      0.00
   5    2     9.00      0.00
   5    3     0.00      0.00
  2.45     2.45     2.45     2.45     0.00    0.77 In the last line, where did 
you obtain the value, from the experience or some papers or somewhere 
else。。。。。。。。
Best WishesBo Xiao
Date: Mon, 24 Oct 2011 16:26:51 +0100
From: [email protected]
To: [email protected]
Subject: Re : [SIESTA-L] pt.psf

Dear,

Here's an input





Karim
                                          

Responder a