Re: [SIESTA-L] error when generate pseudopotential. rcond too small.

Mon, 19 Apr 2010 18:00:50 -0700 

Dear Vozny，
this is the inputfile according to one paper.
   pe   Au, GGA, rcore=1.20
        tm2      3.0
 n=Au c=pbr
       0.0       0.0       0.0       0.0       0.0
   12    3
    6    0      1.00      0.00    # 4s2
    5    2     10.00      0.00    # 4p0
    6    1      0.00      0.00    # 3d6
      2.40      2.70      1.90      0.00      1.20
I am trying to repeat the value about this paper.....
I will try it again, thank you very much

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